Compound Identification
SMILES
COC1=CC=C(CNC2=CC3=C(OC(C)(C)C(OC(=O)C4=CC=C(F)C=C4)C3OCC3=CC=CC=C3)C=C2)C=C1
InChIKey
InChIKey=UHWCVAPRPJMCGH-UHFFFAOYSA-N
Formula
C33H32FNO5
Mass
541.619
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
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Subclass
1-benzopyrans
- Level 5 2,2-dimethyl-1-benzopyrans
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Subclass
1-benzopyrans
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Class
Benzopyrans
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
2,2-dimethyl-1-benzopyrans
Alternative Parents
4-halobenzoic acids and derivatives Benzoic acid esters Benzylethers Phenylmethylamines Phenoxy compounds Anisoles Methoxybenzenes Benzylamines Benzoyl derivatives Secondary alkylarylamines Alkyl aryl ethers Aralkylamines Fluorobenzenes Aryl fluorides Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,2-dimethyl-1-benzopyran - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzylether - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Benzylamine - Phenol ether - Phenylmethylamine - Aralkylamine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Amino acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Secondary amine - Organofluoride - Organic oxygen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
External Descriptors
Not available