(5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one

C12H13ClO2 — CID 145410671

IUPAC(5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one
SMILESO=C1C[C@H](O)CCC1c1ccccc1Cl
InChIInChI=1S/C12H13ClO2/c13-11-4-2-1-3-9(11)10-6-5-8(14)7-12(10)15/h1-4,8,10,14H,5-7H2/t8-,10?/m1/s1
InChIKeyFZENIKZTCUGELZ-HNHGDDPOSA-N
MW224.69 g/mol
LogP2.54
Rot. Bonds1

About (5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one

(5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one (PubChem CID 145410671) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is (5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name(5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one
PubChem CID145410671
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name(5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one
SMILESO=C1C[C@H](O)CCC1c1ccccc1Cl
InChIInChI=1S/C12H13ClO2/c13-11-4-2-1-3-9(11)10-6-5-8(14)7-12(10)15/h1-4,8,10,14H,5-7H2/t8-,10?/m1/s1
InChIKeyFZENIKZTCUGELZ-HNHGDDPOSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one?
The IUPAC name of (5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one (CID 145410671) is (5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one.
What is the SMILES notation for (5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one?
The canonical SMILES for (5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one is O=C1C[C@H](O)CCC1c1ccccc1Cl.
What is the InChIKey of (5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one?
The InChIKey is FZENIKZTCUGELZ-HNHGDDPOSA-N. The full InChI is InChI=1S/C12H13ClO2/c13-11-4-2-1-3-9(11)10-6-5-8(14)7-12(10)15/h1-4,8,10,14H,5-7H2/t8-,10?/m1/s1.
What are the key properties of (5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one?
(5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one has a molecular weight of 224.69 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one is sourced from PubChem (CID 145410671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).