3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid

C18H26O2 — CID 82045661

IUPAC3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid
SMILESCc1cc(C)c(C(CC(=O)O)C2CCCCC2)c(C)c1
InChIInChI=1S/C18H26O2/c1-12-9-13(2)18(14(3)10-12)16(11-17(19)20)15-7-5-4-6-8-15/h9-10,15-16H,4-8,11H2,1-3H3,(H,19,20)
InChIKeyJQSOANUFFKTKBS-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.75
Rot. Bonds4

About 3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid

3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid (PubChem CID 82045661) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid
PubChem CID82045661
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid
SMILESCc1cc(C)c(C(CC(=O)O)C2CCCCC2)c(C)c1
InChIInChI=1S/C18H26O2/c1-12-9-13(2)18(14(3)10-12)16(11-17(19)20)15-7-5-4-6-8-15/h9-10,15-16H,4-8,11H2,1-3H3,(H,19,20)
InChIKeyJQSOANUFFKTKBS-UHFFFAOYSA-N
XLogP4.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid
CID 117344917
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid
CID 60997589
(1R,5R)-1,5-dicyclohexyl-1,5-bis(2,4-dimethylphenyl)pentan-3-one
CID 97304203
3-cyclobutyl-3-(4-fluoro-3-methylphenyl)propanoic acid
CID 82291605
3-(3-chloro-2,6-difluoro-5-methylphenyl)-3-cyclopropylpropanoic acid
CID 117439156
3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide
CID 82089979
(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968
2-(2-chloro-1-cyclopropylethyl)-1,3,5-trimethylbenzene
CID 82080407
cycloheptyl-(2,4,6-trimethylphenyl)methanamine
CID 63522004
3-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 64527351
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
CID 51711852

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid?
The IUPAC name of 3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid (CID 82045661) is 3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid?
The canonical SMILES for 3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid is Cc1cc(C)c(C(CC(=O)O)C2CCCCC2)c(C)c1.
What is the InChIKey of 3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid?
The InChIKey is JQSOANUFFKTKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-12-9-13(2)18(14(3)10-12)16(11-17(19)20)15-7-5-4-6-8-15/h9-10,15-16H,4-8,11H2,1-3H3,(H,19,20).
What are the key properties of 3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid?
3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid has a molecular weight of 274.40 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid is sourced from PubChem (CID 82045661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).