(2,3-dichloro-5-phenylcyclopenta-1,4-dien-1-yl)benzene

C17H12Cl2 — CID 176545919

IUPAC(2,3-dichloro-5-phenylcyclopenta-1,4-dien-1-yl)benzene
SMILESClC1=C(c2ccccc2)C(c2ccccc2)=CC1Cl
InChIInChI=1S/C17H12Cl2/c18-15-11-14(12-7-3-1-4-8-12)16(17(15)19)13-9-5-2-6-10-13/h1-11,15H
InChIKeyGKHZZRYIYTWKSG-UHFFFAOYSA-N
MW287.19 g/mol
LogP5.34
Rot. Bonds2

About (2,3-dichloro-5-phenylcyclopenta-1,4-dien-1-yl)benzene

(2,3-dichloro-5-phenylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 176545919) has the molecular formula C17H12Cl2 and a molecular weight of 287.19 g/mol. Its IUPAC name is (2,3-dichloro-5-phenylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name(2,3-dichloro-5-phenylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID176545919
Molecular FormulaC17H12Cl2
Molecular Weight287.19 g/mol
Exact Mass286.03
IUPAC Name(2,3-dichloro-5-phenylcyclopenta-1,4-dien-1-yl)benzene
SMILESClC1=C(c2ccccc2)C(c2ccccc2)=CC1Cl
InChIInChI=1S/C17H12Cl2/c18-15-11-14(12-7-3-1-4-8-12)16(17(15)19)13-9-5-2-6-10-13/h1-11,15H
InChIKeyGKHZZRYIYTWKSG-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.19
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichloro-5-phenylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of (2,3-dichloro-5-phenylcyclopenta-1,4-dien-1-yl)benzene (CID 176545919) is (2,3-dichloro-5-phenylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for (2,3-dichloro-5-phenylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for (2,3-dichloro-5-phenylcyclopenta-1,4-dien-1-yl)benzene is ClC1=C(c2ccccc2)C(c2ccccc2)=CC1Cl.
What is the InChIKey of (2,3-dichloro-5-phenylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is GKHZZRYIYTWKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2/c18-15-11-14(12-7-3-1-4-8-12)16(17(15)19)13-9-5-2-6-10-13/h1-11,15H.
What are the key properties of (2,3-dichloro-5-phenylcyclopenta-1,4-dien-1-yl)benzene?
(2,3-dichloro-5-phenylcyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 287.19 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichloro-5-phenylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 176545919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).