(5R)-5-(4-chlorophenyl)cyclohex-2-en-1-one

C12H11ClO — CID 122391465

IUPAC(5R)-5-(4-chlorophenyl)cyclohex-2-en-1-one
SMILESO=C1C=CC[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H11ClO/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1,3-7,10H,2,8H2/t10-/m1/s1
InChIKeySGCLTGFNDWZLGH-SNVBAGLBSA-N
MW206.67 g/mol
LogP3.34
Rot. Bonds1

About (5R)-5-(4-chlorophenyl)cyclohex-2-en-1-one

(5R)-5-(4-chlorophenyl)cyclohex-2-en-1-one (PubChem CID 122391465) has the molecular formula C12H11ClO and a molecular weight of 206.67 g/mol. Its IUPAC name is (5R)-5-(4-chlorophenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-5-(4-chlorophenyl)cyclohex-2-en-1-one
PubChem CID122391465
Molecular FormulaC12H11ClO
Molecular Weight206.67 g/mol
Exact Mass206.05
IUPAC Name(5R)-5-(4-chlorophenyl)cyclohex-2-en-1-one
SMILESO=C1C=CC[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H11ClO/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1,3-7,10H,2,8H2/t10-/m1/s1
InChIKeySGCLTGFNDWZLGH-SNVBAGLBSA-N
XLogP3.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-chlorophenyl)cyclohex-2-en-1-one?
The IUPAC name of (5R)-5-(4-chlorophenyl)cyclohex-2-en-1-one (CID 122391465) is (5R)-5-(4-chlorophenyl)cyclohex-2-en-1-one.
What is the SMILES notation for (5R)-5-(4-chlorophenyl)cyclohex-2-en-1-one?
The canonical SMILES for (5R)-5-(4-chlorophenyl)cyclohex-2-en-1-one is O=C1C=CC[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (5R)-5-(4-chlorophenyl)cyclohex-2-en-1-one?
The InChIKey is SGCLTGFNDWZLGH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H11ClO/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1,3-7,10H,2,8H2/t10-/m1/s1.
What are the key properties of (5R)-5-(4-chlorophenyl)cyclohex-2-en-1-one?
(5R)-5-(4-chlorophenyl)cyclohex-2-en-1-one has a molecular weight of 206.67 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-chlorophenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 122391465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).