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

C12H14O2 — CID 13216005

IUPACtrans-(3S,5S)-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-/m0/s1
InChIKeyFFWRTXPMBXORGA-QWRGUYRKSA-N
MW190.24 g/mol
LogP1.88
Rot. Bonds1

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

trans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one (PubChem CID 13216005) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is trans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one.

Molecular Properties

Compound Nametrans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one
PubChem CID13216005
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Nametrans-(3S,5S)-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-/m0/s1
InChIKeyFFWRTXPMBXORGA-QWRGUYRKSA-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

5-phenylcyclohexane-1,3-diol
CID 14135723
3-oxo-5-phenylcyclohexane-1-carbaldehyde
CID 22007917
cis-(3S,5R)-3-(1-hydroxynaphthalen-2-yl)-5-phenylcyclohexan-1-one
CID 134946655
cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one
CID 124561770
trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one
CID 13216000
trans-(1R,3R)-3-phenylcycloheptan-1-ol
CID 95376716
(8S)-8-phenylcyclodecane-1,3,6-trione
CID 125480091
2,6-diphenylphosphinan-4-one
CID 69110592
(3R)-3-phenylcyclohexan-1-one
CID 11041212
3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one
CID 155676403
(3R,5R)-1-benzyl-5-phenylpiperidin-3-ol
CID 12900714
4,6-diphenyloxan-2-one
CID 78061466

Frequently Asked Questions

What is the IUPAC name of trans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one?
The IUPAC name of trans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one (CID 13216005) is trans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one.
What is the SMILES notation for trans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one?
The canonical SMILES for trans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one is O=C1C[C@@H](O)C[C@H](c2ccccc2)C1.
What is the InChIKey of trans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one?
The InChIKey is FFWRTXPMBXORGA-QWRGUYRKSA-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-/m0/s1.
What are the key properties of trans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one?
trans-(3S,5S)-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-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one is sourced from PubChem (CID 13216005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).