(3-phenylcyclopenta-1,4-dien-1-yl)benzene

C17H14 — CID 15799127

IUPAC(3-phenylcyclopenta-1,4-dien-1-yl)benzene
SMILESC1=CC(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C17H14/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15/h1-13,16H
InChIKeyRFHCXPYNBCYGGP-UHFFFAOYSA-N
MW218.30 g/mol
LogP4.42
Rot. Bonds2

About (3-phenylcyclopenta-1,4-dien-1-yl)benzene

(3-phenylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 15799127) has the molecular formula C17H14 and a molecular weight of 218.30 g/mol. Its IUPAC name is (3-phenylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name(3-phenylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID15799127
Molecular FormulaC17H14
Molecular Weight218.30 g/mol
Exact Mass218.11
IUPAC Name(3-phenylcyclopenta-1,4-dien-1-yl)benzene
SMILESC1=CC(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C17H14/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15/h1-13,16H
InChIKeyRFHCXPYNBCYGGP-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3-phenylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of (3-phenylcyclopenta-1,4-dien-1-yl)benzene (CID 15799127) is (3-phenylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for (3-phenylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for (3-phenylcyclopenta-1,4-dien-1-yl)benzene is C1=CC(c2ccccc2)C=C1c1ccccc1.
What is the InChIKey of (3-phenylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is RFHCXPYNBCYGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15/h1-13,16H.
What are the key properties of (3-phenylcyclopenta-1,4-dien-1-yl)benzene?
(3-phenylcyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 218.30 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 15799127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).