trans-(3R,5R)-3-hydroxy-5-phenylcyclohexan-1-one

C12H14O2 — CID 13216003

IUPACtrans-(3R,5R)-3-hydroxy-5-phenylcyclohexan-1-one
SMILESO=C1C[C@H](O)C[C@@H](c2ccccc2)C1
InChIInChI=1S/C12H14O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2/t10-,11-/m1/s1
InChIKeyFFWRTXPMBXORGA-GHMZBOCLSA-N
MW190.24 g/mol
LogP1.88
Rot. Bonds1

About trans-(3R,5R)-3-hydroxy-5-phenylcyclohexan-1-one

trans-(3R,5R)-3-hydroxy-5-phenylcyclohexan-1-one (PubChem CID 13216003) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is trans-(3R,5R)-3-hydroxy-5-phenylcyclohexan-1-one.

Molecular Properties

Compound Nametrans-(3R,5R)-3-hydroxy-5-phenylcyclohexan-1-one
PubChem CID13216003
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Nametrans-(3R,5R)-3-hydroxy-5-phenylcyclohexan-1-one
SMILESO=C1C[C@H](O)C[C@@H](c2ccccc2)C1
InChIInChI=1S/C12H14O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2/t10-,11-/m1/s1
InChIKeyFFWRTXPMBXORGA-GHMZBOCLSA-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

Dihydroyashabushiketol
CID 10265808
1,7-Diphenyl-6(E)-Hepten-3-One-5-Ol
CID 44559751
3-Hydroxy-5-phenylcyclohex-2-en-1-one
CID 3258759
(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
(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one
CID 11208265
(R)-3-Hydroxy-5-phenylpentanoic acid
CID 11106233
(2R,4R,5S)-4-hydroxy-5-methoxy-2-(1-phenylprop-2-enyl)cyclohexan-1-one
CID 11425454
(2S,4R,5S)-4-hydroxy-5-methoxy-2-[(1S)-1-phenylprop-2-enyl]cyclohexan-1-one
CID 11470965
(E)-3-benzyl-6,8-dihydroxyoct-2-en-4-one
CID 25194995
5-Hydroxy-1,6-diphenylhexan-3-one
CID 44585756

Frequently Asked Questions

What is the IUPAC name of trans-(3R,5R)-3-hydroxy-5-phenylcyclohexan-1-one?
The IUPAC name of trans-(3R,5R)-3-hydroxy-5-phenylcyclohexan-1-one (CID 13216003) is trans-(3R,5R)-3-hydroxy-5-phenylcyclohexan-1-one.
What is the SMILES notation for trans-(3R,5R)-3-hydroxy-5-phenylcyclohexan-1-one?
The canonical SMILES for trans-(3R,5R)-3-hydroxy-5-phenylcyclohexan-1-one is O=C1C[C@H](O)C[C@@H](c2ccccc2)C1.
What is the InChIKey of trans-(3R,5R)-3-hydroxy-5-phenylcyclohexan-1-one?
The InChIKey is FFWRTXPMBXORGA-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H14O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2/t10-,11-/m1/s1.
What are the key properties of trans-(3R,5R)-3-hydroxy-5-phenylcyclohexan-1-one?
trans-(3R,5R)-3-hydroxy-5-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 trans-(3R,5R)-3-hydroxy-5-phenylcyclohexan-1-one is sourced from PubChem (CID 13216003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).