5-(4-chlorophenyl)-3-hydroxycyclohex-2-en-1-one

C12H11ClO2 — CID 3366869

IUPAC5-(4-chlorophenyl)-3-hydroxycyclohex-2-en-1-one
SMILESO=C1C=C(O)CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H11ClO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,7,9,14H,5-6H2
InChIKeyDLZDPGBOQGNSNO-UHFFFAOYSA-N
MW222.67 g/mol
LogP3.23
Rot. Bonds1

About 5-(4-chlorophenyl)-3-hydroxycyclohex-2-en-1-one

5-(4-chlorophenyl)-3-hydroxycyclohex-2-en-1-one (PubChem CID 3366869) has the molecular formula C12H11ClO2 and a molecular weight of 222.67 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-hydroxycyclohex-2-en-1-one
PubChem CID3366869
Molecular FormulaC12H11ClO2
Molecular Weight222.67 g/mol
Exact Mass222.04
IUPAC Name5-(4-chlorophenyl)-3-hydroxycyclohex-2-en-1-one
SMILESO=C1C=C(O)CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H11ClO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,7,9,14H,5-6H2
InChIKeyDLZDPGBOQGNSNO-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-(4-chlorophenyl)-3-hydroxycyclohex-2-en-1-one?
The IUPAC name of 5-(4-chlorophenyl)-3-hydroxycyclohex-2-en-1-one (CID 3366869) is 5-(4-chlorophenyl)-3-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for 5-(4-chlorophenyl)-3-hydroxycyclohex-2-en-1-one?
The canonical SMILES for 5-(4-chlorophenyl)-3-hydroxycyclohex-2-en-1-one is O=C1C=C(O)CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 5-(4-chlorophenyl)-3-hydroxycyclohex-2-en-1-one?
The InChIKey is DLZDPGBOQGNSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,7,9,14H,5-6H2.
What are the key properties of 5-(4-chlorophenyl)-3-hydroxycyclohex-2-en-1-one?
5-(4-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-(4-chlorophenyl)-3-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 3366869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).