phenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone

C20H18O — CID 134887905

IUPACphenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone
SMILESO=C(c1ccccc1)C1CC1/C=C/C=C/c1ccccc1
InChIInChI=1S/C20H18O/c21-20(17-12-5-2-6-13-17)19-15-18(19)14-8-7-11-16-9-3-1-4-10-16/h1-14,18-19H,15H2/b11-7+,14-8+
InChIKeyONEGOADQRWJYJN-HPIZBCMHSA-N
MW274.36 g/mol
LogP4.78
Rot. Bonds5

About phenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone

phenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone (PubChem CID 134887905) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is phenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone.

Molecular Properties

Compound Namephenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone
PubChem CID134887905
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Namephenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone
SMILESO=C(c1ccccc1)C1CC1/C=C/C=C/c1ccccc1
InChIInChI=1S/C20H18O/c21-20(17-12-5-2-6-13-17)19-15-18(19)14-8-7-11-16-9-3-1-4-10-16/h1-14,18-19H,15H2/b11-7+,14-8+
InChIKeyONEGOADQRWJYJN-HPIZBCMHSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone
CID 14120313
(1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde
CID 135063555
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
trans-tert-butyl (1S,2S)-2-benzoylcyclopropane-1-carboxylate
CID 12996560
(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
CID 6152775
(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
CID 51568438
cis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate
CID 10957101
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
(2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one
CID 21176370

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone?
The IUPAC name of phenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone (CID 134887905) is phenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone.
What is the SMILES notation for phenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone?
The canonical SMILES for phenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone is O=C(c1ccccc1)C1CC1/C=C/C=C/c1ccccc1.
What is the InChIKey of phenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone?
The InChIKey is ONEGOADQRWJYJN-HPIZBCMHSA-N. The full InChI is InChI=1S/C20H18O/c21-20(17-12-5-2-6-13-17)19-15-18(19)14-8-7-11-16-9-3-1-4-10-16/h1-14,18-19H,15H2/b11-7+,14-8+.
What are the key properties of phenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone?
phenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone has a molecular weight of 274.36 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone is sourced from PubChem (CID 134887905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).