1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one

C19H26O — CID 106651828

IUPAC1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one
SMILESCCC(CC)(C(=O)C1=CCCCCC1)c1ccccc1
InChIInChI=1S/C19H26O/c1-3-19(4-2,17-14-10-7-11-15-17)18(20)16-12-8-5-6-9-13-16/h7,10-12,14-15H,3-6,8-9,13H2,1-2H3
InChIKeyGFFJXZRYAAKIHE-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.20
Rot. Bonds5

About 1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one

1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one (PubChem CID 106651828) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one
PubChem CID106651828
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one
SMILESCCC(CC)(C(=O)C1=CCCCCC1)c1ccccc1
InChIInChI=1S/C19H26O/c1-3-19(4-2,17-14-10-7-11-15-17)18(20)16-12-8-5-6-9-13-16/h7,10-12,14-15H,3-6,8-9,13H2,1-2H3
InChIKeyGFFJXZRYAAKIHE-UHFFFAOYSA-N
XLogP5.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one
CID 106651815
2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one
CID 106651997
1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one
CID 130677283
N,N-dibenzylcycloheptene-1-carboxamide
CID 101069096
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
4-ethyl-4-phenylhexan-3-one
CID 63083231
2-chloro-1-(cyclohepten-1-yl)-2,2-difluoroethanone
CID 106652177
2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone
CID 103450386
1-(cyclohepten-1-yl)-2-phenylsulfanylethanone
CID 106651892
1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 106655601
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one?
The IUPAC name of 1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one (CID 106651828) is 1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one is CCC(CC)(C(=O)C1=CCCCCC1)c1ccccc1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one?
The InChIKey is GFFJXZRYAAKIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-3-19(4-2,17-14-10-7-11-15-17)18(20)16-12-8-5-6-9-13-16/h7,10-12,14-15H,3-6,8-9,13H2,1-2H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one?
1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one has a molecular weight of 270.42 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one is sourced from PubChem (CID 106651828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).