cis-(2R,6S)-2-hydroxy-6-phenylcyclohexan-1-one

C12H14O2 — CID 130989698

IUPACcis-(2R,6S)-2-hydroxy-6-phenylcyclohexan-1-one
SMILESO=C1[C@H](O)CCC[C@H]1c1ccccc1
InChIInChI=1S/C12H14O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8H2/t10-,11+/m0/s1
InChIKeyLXDNIPPYFYGNEF-WDEREUQCSA-N
MW190.24 g/mol
LogP1.88
Rot. Bonds1

About cis-(2R,6S)-2-hydroxy-6-phenylcyclohexan-1-one

cis-(2R,6S)-2-hydroxy-6-phenylcyclohexan-1-one (PubChem CID 130989698) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is cis-(2R,6S)-2-hydroxy-6-phenylcyclohexan-1-one.

Molecular Properties

Compound Namecis-(2R,6S)-2-hydroxy-6-phenylcyclohexan-1-one
PubChem CID130989698
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namecis-(2R,6S)-2-hydroxy-6-phenylcyclohexan-1-one
SMILESO=C1[C@H](O)CCC[C@H]1c1ccccc1
InChIInChI=1S/C12H14O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8H2/t10-,11+/m0/s1
InChIKeyLXDNIPPYFYGNEF-WDEREUQCSA-N
XLogP1.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-4-phenylbutan-2-one
CID 6428929
Dihydroyashabushiketol
CID 10265808
2-Hydroxy-1-(4-phenylphenyl)ethan-1-one
CID 344659
(4R,6S)-4-Hydroxy-6-(1-Phenylallyl)Cyclohex-2-Enone
CID 11148893
Propolis neoflavonoid 2
CID 11183777
5-Hydroxy-1,7-Diphenylheptan-3-One
CID 562075
Usaf DO-2
CID 101556
2-Hydroxy-4-phenylbutyric acid
CID 193387
(R)-2-Hydroxy-4-phenylbutyric acid
CID 2759328
5-Hydroxy-3,4-diphenyl-2-cyclopenten-1-one
CID 279275
(2R,4R,6R)-4-hydroxy-2-methoxy-6-(1-phenylprop-2-enyl)cyclohexan-1-one
CID 11448344
5-Hydroxy-1,6-diphenylhexan-3-one
CID 44585756

Frequently Asked Questions

What is the IUPAC name of cis-(2R,6S)-2-hydroxy-6-phenylcyclohexan-1-one?
The IUPAC name of cis-(2R,6S)-2-hydroxy-6-phenylcyclohexan-1-one (CID 130989698) is cis-(2R,6S)-2-hydroxy-6-phenylcyclohexan-1-one.
What is the SMILES notation for cis-(2R,6S)-2-hydroxy-6-phenylcyclohexan-1-one?
The canonical SMILES for cis-(2R,6S)-2-hydroxy-6-phenylcyclohexan-1-one is O=C1[C@H](O)CCC[C@H]1c1ccccc1.
What is the InChIKey of cis-(2R,6S)-2-hydroxy-6-phenylcyclohexan-1-one?
The InChIKey is LXDNIPPYFYGNEF-WDEREUQCSA-N. The full InChI is InChI=1S/C12H14O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8H2/t10-,11+/m0/s1.
What are the key properties of cis-(2R,6S)-2-hydroxy-6-phenylcyclohexan-1-one?
cis-(2R,6S)-2-hydroxy-6-phenylcyclohexan-1-one has a molecular weight of 190.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,6S)-2-hydroxy-6-phenylcyclohexan-1-one is sourced from PubChem (CID 130989698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).