1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid

C14H18O4 — CID 117378800

IUPAC1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1cc(O)c(C2(C(=O)O)CCCCC2)cc1O
InChIInChI=1S/C14H18O4/c1-9-7-12(16)10(8-11(9)15)14(13(17)18)5-3-2-4-6-14/h7-8,15-16H,2-6H2,1H3,(H,17,18)
InChIKeyUSHACJHPIHINPA-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.69
Rot. Bonds2

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

1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117378800) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117378800
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1cc(O)c(C2(C(=O)O)CCCCC2)cc1O
InChIInChI=1S/C14H18O4/c1-9-7-12(16)10(8-11(9)15)14(13(17)18)5-3-2-4-6-14/h7-8,15-16H,2-6H2,1H3,(H,17,18)
InChIKeyUSHACJHPIHINPA-UHFFFAOYSA-N
XLogP2.69
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-hydroxy-4-methyl-2-methylsulfonylphenyl)cyclohexane-1-carboxylic acid
CID 117497679
1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117420301
1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388630
1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 84799147
5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid
CID 117449718
1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117410085
1-(6-hydroxy-1,3-benzodioxol-5-yl)cyclohexane-1-carboxylic acid
CID 117414750
1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)cyclohexane-1-carboxylic acid
CID 117445875
1-(2-amino-3,5-dimethylphenyl)cycloheptane-1-carboxylic acid
CID 106702527
1-(4,5-difluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117388740
1-(2-fluoro-3,4-dihydroxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117424291
1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117420844

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid (CID 117378800) is 1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid is Cc1cc(O)c(C2(C(=O)O)CCCCC2)cc1O.
What is the InChIKey of 1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is USHACJHPIHINPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-9-7-12(16)10(8-11(9)15)14(13(17)18)5-3-2-4-6-14/h7-8,15-16H,2-6H2,1H3,(H,17,18).
What are the key properties of 1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid?
1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 250.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117378800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).