1-cyclopenta-1,3-dien-1-ylethylbenzene

C13H14 — CID 11116496

IUPAC1-cyclopenta-1,3-dien-1-ylethylbenzene
SMILESCC(C1=CC=CC1)c1ccccc1
InChIInChI=1S/C13H14/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-9,11H,10H2,1H3
InChIKeyHIKSIRNCAJVPPW-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.68
Rot. Bonds2

About 1-cyclopenta-1,3-dien-1-ylethylbenzene

1-cyclopenta-1,3-dien-1-ylethylbenzene (PubChem CID 11116496) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-ylethylbenzene.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-ylethylbenzene
PubChem CID11116496
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name1-cyclopenta-1,3-dien-1-ylethylbenzene
SMILESCC(C1=CC=CC1)c1ccccc1
InChIInChI=1S/C13H14/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-9,11H,10H2,1H3
InChIKeyHIKSIRNCAJVPPW-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexa-1,3-dien-1-ylethylbenzene;osmium
CID 145295082
(S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine
CID 12637323
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
3-(1-phenylethyl)cyclohepta-1,3,5-triene
CID 123815989
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
tris(1-propan-2-ylcyclopenta-1,3-diene);terbium
CID 174728130
bis(1-cyclopenta-1,3-dien-1-ylethylbenzene);iron(2+)
CID 173448913
ethane;methane;1-phenylethylbenzene
CID 143105414
barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)
CID 173388440
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-ylethylbenzene?
The IUPAC name of 1-cyclopenta-1,3-dien-1-ylethylbenzene (CID 11116496) is 1-cyclopenta-1,3-dien-1-ylethylbenzene.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-ylethylbenzene?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-ylethylbenzene is CC(C1=CC=CC1)c1ccccc1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-ylethylbenzene?
The InChIKey is HIKSIRNCAJVPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-9,11H,10H2,1H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-ylethylbenzene?
1-cyclopenta-1,3-dien-1-ylethylbenzene has a molecular weight of 170.25 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-ylethylbenzene is sourced from PubChem (CID 11116496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).