4-(1,5-diphenylhexan-3-ylidene)cyclohexa-2,5-dien-1-one

C24H24O — CID 101129053

IUPAC4-(1,5-diphenylhexan-3-ylidene)cyclohexa-2,5-dien-1-one
SMILESCC(CC(CCc1ccccc1)=C1C=CC(=O)C=C1)c1ccccc1
InChIInChI=1S/C24H24O/c1-19(21-10-6-3-7-11-21)18-23(22-14-16-24(25)17-15-22)13-12-20-8-4-2-5-9-20/h2-11,14-17,19H,12-13,18H2,1H3
InChIKeyQMDSLXRVIOXQKO-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.80
Rot. Bonds6

About 4-(1,5-diphenylhexan-3-ylidene)cyclohexa-2,5-dien-1-one

4-(1,5-diphenylhexan-3-ylidene)cyclohexa-2,5-dien-1-one (PubChem CID 101129053) has the molecular formula C24H24O and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-(1,5-diphenylhexan-3-ylidene)cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-(1,5-diphenylhexan-3-ylidene)cyclohexa-2,5-dien-1-one
PubChem CID101129053
Molecular FormulaC24H24O
Molecular Weight328.46 g/mol
Exact Mass328.18
IUPAC Name4-(1,5-diphenylhexan-3-ylidene)cyclohexa-2,5-dien-1-one
SMILESCC(CC(CCc1ccccc1)=C1C=CC(=O)C=C1)c1ccccc1
InChIInChI=1S/C24H24O/c1-19(21-10-6-3-7-11-21)18-23(22-14-16-24(25)17-15-22)13-12-20-8-4-2-5-9-20/h2-11,14-17,19H,12-13,18H2,1H3
InChIKeyQMDSLXRVIOXQKO-UHFFFAOYSA-N
XLogP5.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid
CID 67823371
(3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 40591277
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide
CID 11359314
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
(3S)-3-phenylbutanoate
CID 6950118
[(1S)-1-phenylethyl] 3-phenylpropanoate
CID 102211488
6-phenylhexan-2-ylbenzene
CID 19704587
2-[(3S)-3-phenylbutanoyl]benzoic acid
CID 58351071
N-(1,4-diphenylpentan-3-ylidene)hydroxylamine
CID 71320973
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
bis(2-aminoacetic acid);3-phenylbutanoic acid
CID 19068405
4-bromo-1-phenylpentan-3-one
CID 121216753

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-diphenylhexan-3-ylidene)cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-(1,5-diphenylhexan-3-ylidene)cyclohexa-2,5-dien-1-one (CID 101129053) is 4-(1,5-diphenylhexan-3-ylidene)cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-(1,5-diphenylhexan-3-ylidene)cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-(1,5-diphenylhexan-3-ylidene)cyclohexa-2,5-dien-1-one is CC(CC(CCc1ccccc1)=C1C=CC(=O)C=C1)c1ccccc1.
What is the InChIKey of 4-(1,5-diphenylhexan-3-ylidene)cyclohexa-2,5-dien-1-one?
The InChIKey is QMDSLXRVIOXQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O/c1-19(21-10-6-3-7-11-21)18-23(22-14-16-24(25)17-15-22)13-12-20-8-4-2-5-9-20/h2-11,14-17,19H,12-13,18H2,1H3.
What are the key properties of 4-(1,5-diphenylhexan-3-ylidene)cyclohexa-2,5-dien-1-one?
4-(1,5-diphenylhexan-3-ylidene)cyclohexa-2,5-dien-1-one has a molecular weight of 328.46 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-diphenylhexan-3-ylidene)cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 101129053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).