2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid

C13H15ClO3 — CID 103979671

IUPAC2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClO3/c14-9-6-4-8(5-7-9)12(15)10-2-1-3-11(10)13(16)17/h4-7,10-12,15H,1-3H2,(H,16,17)
InChIKeyYVBVQVFDADEFKI-UHFFFAOYSA-N
MW254.71 g/mol
LogP2.87
Rot. Bonds3

About 2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid

2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid (PubChem CID 103979671) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid
PubChem CID103979671
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClO3/c14-9-6-4-8(5-7-9)12(15)10-2-1-3-11(10)13(16)17/h4-7,10-12,15H,1-3H2,(H,16,17)
InChIKeyYVBVQVFDADEFKI-UHFFFAOYSA-N
XLogP2.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)-hydroxymethyl]cyclohexane-1-carboxylic acid
CID 43131153
2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 113361275
2-(4-chlorobenzoyl)cyclopentane-1-carboxylic acid
CID 53411598
2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid
CID 103979712
2-[(4-bromo-5-chloro-2-fluorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid
CID 105399251
2-[(4-bromo-5-chlorothiophen-2-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid
CID 102829020
2-(4-chlorophenyl)sulfanylcyclopentane-1-carboxylic acid
CID 63099604
2-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid
CID 54395284
(S)-(4-chlorophenyl)-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanol
CID 125467337
cis-(1S,2R)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 165353427
6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053727
2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid
CID 55182248

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid (CID 103979671) is 2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid?
The InChIKey is YVBVQVFDADEFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c14-9-6-4-8(5-7-9)12(15)10-2-1-3-11(10)13(16)17/h4-7,10-12,15H,1-3H2,(H,16,17).
What are the key properties of 2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid?
2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid has a molecular weight of 254.71 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103979671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).