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C₂₄H₂₈O₂CAS 71441-28-6348.49 g/mol

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Alkene Carboxylic acid

Properties

Molecular formula: C₂₄H₂₈O₂
Molar mass: 348.49 g/mol
Exact mass: 348.2089 Da
Melting point: 240–241 °C
logP: 6.29Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers
H360 May damage fertility or the unborn child97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

71441-28-6

SMILES

C/C(=Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

InChIKey

FOIVPCKZDPCJJY-JQIJEIRASA-N

InChI

InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+

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Names and synonyms

10 names

Benzoic acid, 4-[(1E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propen-1-yl]-
Benzoic acid, 4-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl]-, (E)-
Benzoic acid, 4-[(1E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl]-
4-[(1E)-2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propen-1-yl]benzoic acid
Ro 13-7410
Arotinoid acid
Arotinoid free acid
AGN 191183
TTNB
4-[(E)-2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl]benzoic acid

Work with TTNPB

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

4-[[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]amino]benzoic acid102121-60-859 % similar Tamibarotene94497-51-556 % similar Palovarotene410528-02-846 % similar 4,4′-(1,2-Ethenediyl)bis[benzoic acid]100-31-241 % similar 4,4'-Stilbenedicarboxylic acid133005-88-641 % similar 4-Carboxybenzaldehyde619-66-939 % similar 4-Vinylbenzoic acid1075-49-638 % similar para-tert-Butylbenzoic acid98-73-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Bexarotene153559-49-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook