[4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone

C21H22O — CID 101228026

IUPAC[4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(/C2=C/CCCCCC2)cc1
InChIInChI=1S/C21H22O/c22-21(19-11-7-4-8-12-19)20-15-13-18(14-16-20)17-9-5-2-1-3-6-10-17/h4,7-9,11-16H,1-3,5-6,10H2/b17-9+
InChIKeyVUUWEYXHHWIVDR-RQZCQDPDSA-N
MW290.41 g/mol
LogP5.66
Rot. Bonds3

About [4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone

[4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone (PubChem CID 101228026) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone
PubChem CID101228026
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name[4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(/C2=C/CCCCCC2)cc1
InChIInChI=1S/C21H22O/c22-21(19-11-7-4-8-12-19)20-15-13-18(14-16-20)17-9-5-2-1-3-6-10-17/h4,7-9,11-16H,1-3,5-6,10H2/b17-9+
InChIKeyVUUWEYXHHWIVDR-RQZCQDPDSA-N
XLogP5.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-phenylphenyl)cycloheptene
CID 58982123
phenyl-(4-phenylphenyl)methanone
CID 155775877
diphenylmethanone
CID 3102
1-(2-phenylphenyl)cycloheptene
CID 71332036
cycloocten-1-yl benzoate
CID 85420159
diphenylmethanone;gold
CID 174931146
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
bis(diphenylmethanone);dihydrochloride
CID 69107757
2-[3-(cyclohexen-1-yl)phenyl]acetic acid
CID 115029618

Frequently Asked Questions

What is the IUPAC name of [4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone?
The IUPAC name of [4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone (CID 101228026) is [4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(/C2=C/CCCCCC2)cc1.
What is the InChIKey of [4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone?
The InChIKey is VUUWEYXHHWIVDR-RQZCQDPDSA-N. The full InChI is InChI=1S/C21H22O/c22-21(19-11-7-4-8-12-19)20-15-13-18(14-16-20)17-9-5-2-1-3-6-10-17/h4,7-9,11-16H,1-3,5-6,10H2/b17-9+.
What are the key properties of [4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone?
[4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone has a molecular weight of 290.41 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 101228026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).