4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid

C15H20O3 — CID 83652520

IUPAC4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C)cc1C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H20O3/c1-10-3-8-14(18-2)13(9-10)11-4-6-12(7-5-11)15(16)17/h3,8-9,11-12H,4-7H2,1-2H3,(H,16,17)
InChIKeyIEUPTMMECFRBDE-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.36
Rot. Bonds3

About 4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid

4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 83652520) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
PubChem CID83652520
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C)cc1C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H20O3/c1-10-3-8-14(18-2)13(9-10)11-4-6-12(7-5-11)15(16)17/h3,8-9,11-12H,4-7H2,1-2H3,(H,16,17)
InChIKeyIEUPTMMECFRBDE-UHFFFAOYSA-N
XLogP3.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid
CID 171115848
4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid
CID 59278786
2-(2-methoxy-5-methylphenyl)cycloheptane-1-carboxylic acid
CID 81008451
3-(2-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 64505766
4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid
CID 171115881
5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117467617
(1R,3R,4R)-4-(2-methoxy-5-methylphenyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 94845843
(2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate
CID 175156246
2-(2-methoxy-5-methylphenyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81021418
4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017282
cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324088
1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 45427087

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid (CID 83652520) is 4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid is COc1ccc(C)cc1C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is IEUPTMMECFRBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-3-8-14(18-2)13(9-10)11-4-6-12(7-5-11)15(16)17/h3,8-9,11-12H,4-7H2,1-2H3,(H,16,17).
What are the key properties of 4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid?
4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 83652520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).