1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid

C14H18O3 — CID 105494496

IUPAC1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid
SMILESCc1ccccc1C(O)C1(C(=O)O)CCCC1
InChIInChI=1S/C14H18O3/c1-10-6-2-3-7-11(10)12(15)14(13(16)17)8-4-5-9-14/h2-3,6-7,12,15H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyXAXFCTNVKBPVHV-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.67
Rot. Bonds3

About 1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid

1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 105494496) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid
PubChem CID105494496
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid
SMILESCc1ccccc1C(O)C1(C(=O)O)CCCC1
InChIInChI=1S/C14H18O3/c1-10-6-2-3-7-11(10)12(15)14(13(16)17)8-4-5-9-14/h2-3,6-7,12,15H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyXAXFCTNVKBPVHV-UHFFFAOYSA-N
XLogP2.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 84674072
1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid
CID 125452234
1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 84675891
1-[hydroxy-(2-methylphenyl)methyl]cyclooctane-1-carbonitrile
CID 80603593
methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate
CID 116959124
1-(2-methylphenyl)sulfanylcycloheptane-1-carboxylic acid
CID 61344926
acetic acid;(2-methylphenyl)methanediol
CID 71361235
2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid
CID 65007655
1-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43399713
1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid
CID 105479066
(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
CID 97035219
N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine
CID 80683443

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid (CID 105494496) is 1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid is Cc1ccccc1C(O)C1(C(=O)O)CCCC1.
What is the InChIKey of 1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is XAXFCTNVKBPVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10-6-2-3-7-11(10)12(15)14(13(16)17)8-4-5-9-14/h2-3,6-7,12,15H,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of 1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid?
1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 105494496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).