(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone

C12H13ClO2 — CID 20523462

IUPAC(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1(O)CCCC1
InChIInChI=1S/C12H13ClO2/c13-10-5-3-9(4-6-10)11(14)12(15)7-1-2-8-12/h3-6,15H,1-2,7-8H2
InChIKeyUHYZCRZFWDYXMN-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.83
Rot. Bonds2

About (4-chlorophenyl)-(1-hydroxycyclopentyl)methanone

(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone (PubChem CID 20523462) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is (4-chlorophenyl)-(1-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone
PubChem CID20523462
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1(O)CCCC1
InChIInChI=1S/C12H13ClO2/c13-10-5-3-9(4-6-10)11(14)12(15)7-1-2-8-12/h3-6,15H,1-2,7-8H2
InChIKeyUHYZCRZFWDYXMN-UHFFFAOYSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1-hydroxycyclopentyl)methanone?
The IUPAC name of (4-chlorophenyl)-(1-hydroxycyclopentyl)methanone (CID 20523462) is (4-chlorophenyl)-(1-hydroxycyclopentyl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(1-hydroxycyclopentyl)methanone?
The canonical SMILES for (4-chlorophenyl)-(1-hydroxycyclopentyl)methanone is O=C(c1ccc(Cl)cc1)C1(O)CCCC1.
What is the InChIKey of (4-chlorophenyl)-(1-hydroxycyclopentyl)methanone?
The InChIKey is UHYZCRZFWDYXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c13-10-5-3-9(4-6-10)11(14)12(15)7-1-2-8-12/h3-6,15H,1-2,7-8H2.
What are the key properties of (4-chlorophenyl)-(1-hydroxycyclopentyl)methanone?
(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone has a molecular weight of 224.69 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1-hydroxycyclopentyl)methanone is sourced from PubChem (CID 20523462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).