1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid

C13H16O4 — CID 117344788

IUPAC1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1c(O)ccc(C2(C(=O)O)CCCC2)c1O
InChIInChI=1S/C13H16O4/c1-8-10(14)5-4-9(11(8)15)13(12(16)17)6-2-3-7-13/h4-5,14-15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyHQYRPPRVSDBPPI-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.30
Rot. Bonds2

About 1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid

1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117344788) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117344788
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1c(O)ccc(C2(C(=O)O)CCCC2)c1O
InChIInChI=1S/C13H16O4/c1-8-10(14)5-4-9(11(8)15)13(12(16)17)6-2-3-7-13/h4-5,14-15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyHQYRPPRVSDBPPI-UHFFFAOYSA-N
XLogP2.30
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117425482
1-(4-chloro-2,3-dihydroxyphenyl)cyclopentane-1-carboxylic acid
CID 117394993
1-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxylic acid
CID 117438542
1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117328262
1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 117348923
1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117378800
1-(2-fluoro-4-hydroxy-3-methylsulfonylphenyl)cyclobutane-1-carboxylic acid
CID 117465574
1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117435909
1-(3-fluoro-2-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299936
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid
CID 117349897
1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylic acid
CID 117410209

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid (CID 117344788) is 1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid is Cc1c(O)ccc(C2(C(=O)O)CCCC2)c1O.
What is the InChIKey of 1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is HQYRPPRVSDBPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-8-10(14)5-4-9(11(8)15)13(12(16)17)6-2-3-7-13/h4-5,14-15H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid?
1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117344788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).