1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one

C18H24O — CID 106651815

IUPAC1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)/C1=C/CCCCCC1)c1ccccc1
InChIInChI=1S/C18H24O/c1-18(2,16-13-9-6-10-14-16)17(19)15-11-7-4-3-5-8-12-15/h6,9-11,13-14H,3-5,7-8,12H2,1-2H3/b15-11+
InChIKeyRFMULKCSQRNJDV-RVDMUPIBSA-N
MW256.39 g/mol
LogP4.81
Rot. Bonds3

About 1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one

1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one (PubChem CID 106651815) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one
PubChem CID106651815
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)/C1=C/CCCCCC1)c1ccccc1
InChIInChI=1S/C18H24O/c1-18(2,16-13-9-6-10-14-16)17(19)15-11-7-4-3-5-8-12-15/h6,9-11,13-14H,3-5,7-8,12H2,1-2H3/b15-11+
InChIKeyRFMULKCSQRNJDV-RVDMUPIBSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one
CID 106651828
1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one
CID 130677283
1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 106655601
2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid
CID 15515052
2-chloro-1-(cyclohepten-1-yl)-2,2-difluoroethanone
CID 106652177
2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone
CID 103450386
1-(cyclohexen-1-yl)-1-phenylethanol
CID 538858
2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone
CID 67914178
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
[(1E)-cyclododecen-1-yl]-indol-1-ylmethanone
CID 126970700
3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
CID 106655429
N,N-dibenzylcycloheptene-1-carboxamide
CID 101069096

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one (CID 106651815) is 1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one is CC(C)(C(=O)/C1=C/CCCCCC1)c1ccccc1.
What is the InChIKey of 1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one?
The InChIKey is RFMULKCSQRNJDV-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H24O/c1-18(2,16-13-9-6-10-14-16)17(19)15-11-7-4-3-5-8-12-15/h6,9-11,13-14H,3-5,7-8,12H2,1-2H3/b15-11+.
What are the key properties of 1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one?
1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one has a molecular weight of 256.39 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 106651815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).