5-(2-chlorophenyl)-3-hydroxycyclohex-2-en-1-one

C12H11ClO2 — CID 73132126

IUPAC5-(2-chlorophenyl)-3-hydroxycyclohex-2-en-1-one
SMILESO=C1C=C(O)CC(c2ccccc2Cl)C1
InChIInChI=1S/C12H11ClO2/c13-12-4-2-1-3-11(12)8-5-9(14)7-10(15)6-8/h1-4,7-8,14H,5-6H2
InChIKeyMMQIMADTMLDQLH-UHFFFAOYSA-N
MW222.67 g/mol
LogP3.23
Rot. Bonds1

About 5-(2-chlorophenyl)-3-hydroxycyclohex-2-en-1-one

5-(2-chlorophenyl)-3-hydroxycyclohex-2-en-1-one (PubChem CID 73132126) has the molecular formula C12H11ClO2 and a molecular weight of 222.67 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-hydroxycyclohex-2-en-1-one
PubChem CID73132126
Molecular FormulaC12H11ClO2
Molecular Weight222.67 g/mol
Exact Mass222.04
IUPAC Name5-(2-chlorophenyl)-3-hydroxycyclohex-2-en-1-one
SMILESO=C1C=C(O)CC(c2ccccc2Cl)C1
InChIInChI=1S/C12H11ClO2/c13-12-4-2-1-3-11(12)8-5-9(14)7-10(15)6-8/h1-4,7-8,14H,5-6H2
InChIKeyMMQIMADTMLDQLH-UHFFFAOYSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-hydroxycyclohex-2-en-1-one?
The IUPAC name of 5-(2-chlorophenyl)-3-hydroxycyclohex-2-en-1-one (CID 73132126) is 5-(2-chlorophenyl)-3-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for 5-(2-chlorophenyl)-3-hydroxycyclohex-2-en-1-one?
The canonical SMILES for 5-(2-chlorophenyl)-3-hydroxycyclohex-2-en-1-one is O=C1C=C(O)CC(c2ccccc2Cl)C1.
What is the InChIKey of 5-(2-chlorophenyl)-3-hydroxycyclohex-2-en-1-one?
The InChIKey is MMQIMADTMLDQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2/c13-12-4-2-1-3-11(12)8-5-9(14)7-10(15)6-8/h1-4,7-8,14H,5-6H2.
What are the key properties of 5-(2-chlorophenyl)-3-hydroxycyclohex-2-en-1-one?
5-(2-chlorophenyl)-3-hydroxycyclohex-2-en-1-one has a molecular weight of 222.67 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 73132126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).