2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid

C18H26O2 — CID 79418060

IUPAC2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid
SMILESCCC1CCCC(C(Cc2cccc(C)c2)C(=O)O)C1
InChIInChI=1S/C18H26O2/c1-3-14-7-5-9-16(11-14)17(18(19)20)12-15-8-4-6-13(2)10-15/h4,6,8,10,14,16-17H,3,5,7,9,11-12H2,1-2H3,(H,19,20)
InChIKeyAAUGNVJPLCBSCK-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.45
Rot. Bonds5

About 2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid

2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid (PubChem CID 79418060) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid
PubChem CID79418060
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid
SMILESCCC1CCCC(C(Cc2cccc(C)c2)C(=O)O)C1
InChIInChI=1S/C18H26O2/c1-3-14-7-5-9-16(11-14)17(18(19)20)12-15-8-4-6-13(2)10-15/h4,6,8,10,14,16-17H,3,5,7,9,11-12H2,1-2H3,(H,19,20)
InChIKeyAAUGNVJPLCBSCK-UHFFFAOYSA-N
XLogP4.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid
CID 79418826
[1-(3-ethylcyclohexyl)-3-(3-methylphenyl)propyl]hydrazine
CID 105313791
1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene
CID 167535995
3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 64742986
N-ethyl-1-(3-ethylcyclopentyl)-2-(3-methylphenyl)ethanamine
CID 65409853
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
CID 64747832
(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543287
2-cyclobutyl-3-(3-methylphenoxy)propanoic acid
CID 117245719
1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994
4-ethyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 114431017
4-cyclopentyl-1-(3-methylphenyl)butan-2-ol
CID 55149919
(2S)-3-(3-methylphenyl)-2-sulfanylpropanoic acid
CID 959252

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid?
The IUPAC name of 2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid (CID 79418060) is 2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid?
The canonical SMILES for 2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid is CCC1CCCC(C(Cc2cccc(C)c2)C(=O)O)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid?
The InChIKey is AAUGNVJPLCBSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-3-14-7-5-9-16(11-14)17(18(19)20)12-15-8-4-6-13(2)10-15/h4,6,8,10,14,16-17H,3,5,7,9,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid?
2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid has a molecular weight of 274.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 79418060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).