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

C12H13ClO2 — CID 76967267

IUPAC(2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one
SMILESO=C1CCCC[C@@]1(O)c1ccccc1Cl
InChIInChI=1S/C12H13ClO2/c13-10-6-2-1-5-9(10)12(15)8-4-3-7-11(12)14/h1-2,5-6,15H,3-4,7-8H2/t12-/m1/s1
InChIKeyTXHGZWYEGMFTJB-GFCCVEGCSA-N
MW224.69 g/mol
LogP2.67
Rot. Bonds1

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

(2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one (PubChem CID 76967267) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one
PubChem CID76967267
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name(2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one
SMILESO=C1CCCC[C@@]1(O)c1ccccc1Cl
InChIInChI=1S/C12H13ClO2/c13-10-6-2-1-5-9(10)12(15)8-4-3-7-11(12)14/h1-2,5-6,15H,3-4,7-8H2/t12-/m1/s1
InChIKeyTXHGZWYEGMFTJB-GFCCVEGCSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one (CID 76967267) is (2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one is O=C1CCCC[C@@]1(O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one?
The InChIKey is TXHGZWYEGMFTJB-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13ClO2/c13-10-6-2-1-5-9(10)12(15)8-4-3-7-11(12)14/h1-2,5-6,15H,3-4,7-8H2/t12-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one?
(2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one has a molecular weight of 224.69 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one is sourced from PubChem (CID 76967267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).