(1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene

C20H20 — CID 87377152

IUPAC(1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene
SMILESCCC(C1=CCC=C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20/c1-2-20(19-15-9-10-16-19,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-9,11-16H,2,10H2,1H3
InChIKeyOAFFTOFGPBJBLQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.27
Rot. Bonds4

About (1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene

(1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene (PubChem CID 87377152) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is (1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene.

Molecular Properties

Compound Name(1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene
PubChem CID87377152
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name(1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene
SMILESCCC(C1=CCC=C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20/c1-2-20(19-15-9-10-16-19,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-9,11-16H,2,10H2,1H3
InChIKeyOAFFTOFGPBJBLQ-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-2-methoxy-3-phenylbenzene
CID 18347425
1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene
CID 87976759
2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene
CID 139240478
1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene
CID 142667155
(3-ethyl-4,4-dimethylhexan-3-yl)benzene
CID 147184303
2-(3-ethylhex-5-en-3-yl)cyclopenta-1,3-diene
CID 137052048
3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene
CID 91047474
2-cyclohepta-1,4,6-trien-1-yl-2-phenylpropanoic acid
CID 142840576
2-cyclopenta-1,4-dien-1-ylpropane-2-thiol
CID 174414235
1-cyclopenta-1,4-dien-1-ylethanol;[diphenyl(trityloxy)methyl]benzene
CID 19994099
2,2,2-triphenylethylphosphanium chloride
CID 21496958
1,1-diphenylpropyl(oxo)phosphanium
CID 154152930

Frequently Asked Questions

What is the IUPAC name of (1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene?
The IUPAC name of (1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene (CID 87377152) is (1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene.
What is the SMILES notation for (1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene?
The canonical SMILES for (1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene is CCC(C1=CCC=C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene?
The InChIKey is OAFFTOFGPBJBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-2-20(19-15-9-10-16-19,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-9,11-16H,2,10H2,1H3.
What are the key properties of (1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene?
(1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene has a molecular weight of 260.38 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene is sourced from PubChem (CID 87377152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).