1-[(4-chlorophenyl)-hydroxymethyl]cyclopropane-1-carboxylic acid

C11H11ClO3 — CID 84690733

IUPAC1-[(4-chlorophenyl)-hydroxymethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H11ClO3/c12-8-3-1-7(2-4-8)9(13)11(5-6-11)10(14)15/h1-4,9,13H,5-6H2,(H,14,15)
InChIKeyHRSPOADWCXCFLV-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.24
Rot. Bonds3

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

1-[(4-chlorophenyl)-hydroxymethyl]cyclopropane-1-carboxylic acid (PubChem CID 84690733) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-hydroxymethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-hydroxymethyl]cyclopropane-1-carboxylic acid
PubChem CID84690733
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name1-[(4-chlorophenyl)-hydroxymethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H11ClO3/c12-8-3-1-7(2-4-8)9(13)11(5-6-11)10(14)15/h1-4,9,13H,5-6H2,(H,14,15)
InChIKeyHRSPOADWCXCFLV-UHFFFAOYSA-N
XLogP2.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866
1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116836256
(2S)-2-[(4-chlorophenyl)-hydroxymethyl]-2-methylcyclopentan-1-one
CID 101389876
1-[1-(4-chlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095918
1-adamantyl-(4-chlorophenyl)methanol
CID 55186220
2-[4-(4-chlorophenyl)phenyl]-2-hydroxyacetic acid
CID 19793104
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755628
(4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methanol
CID 10734821
methyl 1-[(4-chlorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylate
CID 116959110
(Z,4S)-4-(4-chlorophenyl)-4-hydroxybut-2-enoic acid
CID 6914274

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-hydroxymethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-chlorophenyl)-hydroxymethyl]cyclopropane-1-carboxylic acid (CID 84690733) is 1-[(4-chlorophenyl)-hydroxymethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorophenyl)-hydroxymethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-chlorophenyl)-hydroxymethyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)-hydroxymethyl]cyclopropane-1-carboxylic acid?
The InChIKey is HRSPOADWCXCFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c12-8-3-1-7(2-4-8)9(13)11(5-6-11)10(14)15/h1-4,9,13H,5-6H2,(H,14,15).
What are the key properties of 1-[(4-chlorophenyl)-hydroxymethyl]cyclopropane-1-carboxylic acid?
1-[(4-chlorophenyl)-hydroxymethyl]cyclopropane-1-carboxylic acid has a molecular weight of 226.66 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-hydroxymethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84690733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).