3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid

C17H24O3 — CID 117442816

IUPAC3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1ccc(CC(C)C(=O)O)cc1C1CCCCC1
InChIInChI=1S/C17H24O3/c1-12(17(18)19)10-13-8-9-16(20-2)15(11-13)14-6-4-3-5-7-14/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyISIRHQOHTGSBCQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.01
Rot. Bonds5

About 3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid

3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid (PubChem CID 117442816) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid
PubChem CID117442816
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1ccc(CC(C)C(=O)O)cc1C1CCCCC1
InChIInChI=1S/C17H24O3/c1-12(17(18)19)10-13-8-9-16(20-2)15(11-13)14-6-4-3-5-7-14/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyISIRHQOHTGSBCQ-UHFFFAOYSA-N
XLogP4.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid
CID 117412953
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]-2-methylpropanoic acid
CID 117474871
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid
CID 117419672
3-[3-methoxy-4-(thietan-3-yloxy)phenyl]-2-methylpropanoic acid
CID 117453816
3-(3-cyclohexylphenyl)-2-methylpropanoic acid
CID 115006126
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117473404
3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid
CID 117425393
O-[2-(3-cyclohexyl-4-methoxyphenyl)ethyl]hydroxylamine
CID 117377552
3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid
CID 70957387
1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117408759
1-(3-cyclopentyl-4-methoxyphenyl)ethanone
CID 84683848

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid (CID 117442816) is 3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid is COc1ccc(CC(C)C(=O)O)cc1C1CCCCC1.
What is the InChIKey of 3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid?
The InChIKey is ISIRHQOHTGSBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-12(17(18)19)10-13-8-9-16(20-2)15(11-13)14-6-4-3-5-7-14/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid?
3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid has a molecular weight of 276.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 117442816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).