2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C15H19NO4 — CID 22688939

IUPAC2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(NC(=O)C2CCCCC2C(=O)O)c(O)c1
InChIInChI=1S/C15H19NO4/c1-9-6-7-12(13(17)8-9)16-14(18)10-4-2-3-5-11(10)15(19)20/h6-8,10-11,17H,2-5H2,1H3,(H,16,18)(H,19,20)
InChIKeyCEYZCVSQVJWZKO-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.53
Rot. Bonds3

About 2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 22688939) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID22688939
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(NC(=O)C2CCCCC2C(=O)O)c(O)c1
InChIInChI=1S/C15H19NO4/c1-9-6-7-12(13(17)8-9)16-14(18)10-4-2-3-5-11(10)15(19)20/h6-8,10-11,17H,2-5H2,1H3,(H,16,18)(H,19,20)
InChIKeyCEYZCVSQVJWZKO-UHFFFAOYSA-N
XLogP2.53
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-2-[[4-[4-[[(1R,2S)-2-carboxycyclohexanecarbonyl]amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 51622080
2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978084
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360982
(1S)-2-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 46738361
cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 112738572
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 46450422
3-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]-4-methylbenzoic acid
CID 874638
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103584586
N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide
CID 81426078
cis-(1S,2R)-2-[(2,4-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344028

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 22688939) is 2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is Cc1ccc(NC(=O)C2CCCCC2C(=O)O)c(O)c1.
What is the InChIKey of 2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is CEYZCVSQVJWZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9-6-7-12(13(17)8-9)16-14(18)10-4-2-3-5-11(10)15(19)20/h6-8,10-11,17H,2-5H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22688939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).