9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl ester

HCID 3312

Basic information

Standard SMILES
CCOC(=O)C=C(C)C=CC=C(C)C=Cc1c(C)cc(OC)c(C)c1C
InChIKey
HQMNCQVAMBCHCO-UHFFFAOYSA-N
Molecular formula
C23H30O3
Average molar mass
354.5 g/mol

Overview

See also: Etretinate (annotation moved to).

Names & identifiers

Preferred name
9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl ester
IUPAC
ethyl 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate

Names & synonyms

9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl esterAcitretin Acid Impurity BSCHEMBL4402571HQMNCQVAMBCHCO-UHFFFAOYSA-NKXB23713s4699AKOS030228516DB00926Q271664209-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid ethyl esterethyl 9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoateethyl 9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
Show more names
9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid ethyl ester

Database identifiers

PubChem CID
3312

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
26

Related reactions

8 records

Compound notes

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