chempirical

Methyl 6-(4-methoxy-3-tricyclo[3.3.1.13,7]dec-1-ylphenyl)-2-naphthalenecarboxylate

C29H30O3CAS 106685-41-0426.56 g/mol

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OOO
EsterEther

Properties

Molecular formula
C29H30O3
Molar mass
426.56 g/mol
Exact mass
426.2195 Da
Melting point
221–222 °C
logP
6.77Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
106685-41-0
SMILES
COC(=O)c1ccc2cc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1
InChIKey
PGXNMQBGOVUZNC-UHFFFAOYSA-N
InChI
InChI=1S/C29H30O3/c1-31-27-8-7-24(14-26(27)29-15-18-9-19(16-29)11-20(10-18)17-29)22-3-4-23-13-25(28(30)32-2)6-5-21(23)12-22/h3-8,12-14,18-20H,9-11,15-17H2,1-2H3

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Names and synonyms

2 names
  • 2-Naphthalenecarboxylic acid, 6-(4-methoxy-3-tricyclo[3.3.1.13,7]dec-1-ylphenyl)-, methyl ester
  • Methyl 6-(3-(adamantan-1-yl)-4-methoxyphenyl)-2-naphthoate

Work with Methyl 6-(4-methoxy-3-tricyclo[3.3.1.13,7]dec-1-ylphenyl)-2-naphthalenecarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Adapalene106685-40-974 % similar 2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-349 % similar 2-(1-Adamantyl)-4-bromoanisole104224-63-748 % similar Methyl 3,4-dimethoxybenzoate2150-38-148 % similar Methyl 3-amino-4-methoxybenzoate24812-90-645 % similar Methyl 2-naphthoate2459-25-845 % similar Methyl 3-chloro-4-methoxybenzoate37908-98-844 % similar Methyl 6-bromonaphthalene-2-carboxylate33626-98-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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