ethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one

C17H24O2 — CID 144636077

IUPACethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
SMILESCC.Cc1cc(C)c(C2=C(O)CCCC2=O)c(C)c1
InChIInChI=1S/C15H18O2.C2H6/c1-9-7-10(2)14(11(3)8-9)15-12(16)5-4-6-13(15)17;1-2/h7-8,16H,4-6H2,1-3H3;1-2H3
InChIKeyISBUHAOLYISKKZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.66
Rot. Bonds1

About ethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one

ethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one (PubChem CID 144636077) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is ethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Nameethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
PubChem CID144636077
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Nameethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
SMILESCC.Cc1cc(C)c(C2=C(O)CCCC2=O)c(C)c1
InChIInChI=1S/C15H18O2.C2H6/c1-9-7-10(2)14(11(3)8-9)15-12(16)5-4-6-13(15)17;1-2/h7-8,16H,4-6H2,1-3H3;1-2H3
InChIKeyISBUHAOLYISKKZ-UHFFFAOYSA-N
XLogP4.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methoxy-6-methylphenyl)-3-hydroxycyclopent-2-en-1-one
CID 156689867
3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
CID 83390782
5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one
CID 139798659
3-hydroxy-5-(2-propylsulfanylpropyl)-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
CID 59400625
4,6-dimethyl-2,3-dihydroinden-1-one
CID 640553
3-hydroxy-5-[1-(4-methylphenyl)sulfonylpropan-2-yl]-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
CID 90335581
8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10631089
6,8-dimethyl-2,3-dihydro-1H-dibenzofuran-4-one
CID 10822519
9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one
CID 159988514
1-(2,4,6-trimethylphenyl)piperidine-2,3-dione
CID 117013765
(6E)-7-(2,4-diethyl-6-methylphenyl)-6-hydroxy-2,3,4,5-tetrahydrooxocin-8-one
CID 90047952
4,6-dimethyl-1-benzofuran-3-one
CID 595599

Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one?
The IUPAC name of ethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one (CID 144636077) is ethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for ethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one?
The canonical SMILES for ethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one is CC.Cc1cc(C)c(C2=C(O)CCCC2=O)c(C)c1.
What is the InChIKey of ethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one?
The InChIKey is ISBUHAOLYISKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2.C2H6/c1-9-7-10(2)14(11(3)8-9)15-12(16)5-4-6-13(15)17;1-2/h7-8,16H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one?
ethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one has a molecular weight of 260.38 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 144636077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).