ethane;methanol;4-phenylcyclohexan-1-one

C15H24O2 — CID 91076562

IUPACethane;methanol;4-phenylcyclohexan-1-one
SMILESCC.CO.O=C1CCC(c2ccccc2)CC1
InChIInChI=1S/C12H14O.C2H6.CH4O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*1-2/h1-5,11H,6-9H2;1-2H3;2H,1H3
InChIKeyAUXLHCPBKBMVAT-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.55
Rot. Bonds1

About ethane;methanol;4-phenylcyclohexan-1-one

ethane;methanol;4-phenylcyclohexan-1-one (PubChem CID 91076562) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is ethane;methanol;4-phenylcyclohexan-1-one.

Molecular Properties

Compound Nameethane;methanol;4-phenylcyclohexan-1-one
PubChem CID91076562
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Nameethane;methanol;4-phenylcyclohexan-1-one
SMILESCC.CO.O=C1CCC(c2ccccc2)CC1
InChIInChI=1S/C12H14O.C2H6.CH4O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*1-2/h1-5,11H,6-9H2;1-2H3;2H,1H3
InChIKeyAUXLHCPBKBMVAT-UHFFFAOYSA-N
XLogP3.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688
5-phenyloxocane-2,8-dione
CID 83888033
2,2,3,3-tetradeuterio-4-phenylcyclohexan-1-one
CID 139660761
ethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen
CID 142101023
(8S)-8-phenylcyclodecane-1,3,6-trione
CID 125480091
benzene;cyclopropylbenzene
CID 144638417
4-(4-chlorophenyl)cyclohexan-1-one
CID 14617880
(3R)-3-phenylcyclohexan-1-one
CID 11041212
4-pyridin-2-ylcyclohexan-1-one
CID 21187660
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
1-(4-phenylcyclohexylidene)propan-2-ol
CID 103971296
cyclopentylbenzene;iron
CID 158512704

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;4-phenylcyclohexan-1-one?
The IUPAC name of ethane;methanol;4-phenylcyclohexan-1-one (CID 91076562) is ethane;methanol;4-phenylcyclohexan-1-one.
What is the SMILES notation for ethane;methanol;4-phenylcyclohexan-1-one?
The canonical SMILES for ethane;methanol;4-phenylcyclohexan-1-one is CC.CO.O=C1CCC(c2ccccc2)CC1.
What is the InChIKey of ethane;methanol;4-phenylcyclohexan-1-one?
The InChIKey is AUXLHCPBKBMVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.C2H6.CH4O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*1-2/h1-5,11H,6-9H2;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;4-phenylcyclohexan-1-one?
ethane;methanol;4-phenylcyclohexan-1-one has a molecular weight of 236.36 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;4-phenylcyclohexan-1-one is sourced from PubChem (CID 91076562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).