1-chloro-2-(3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienyl)benzene

C14H11Cl — CID 176545927

IUPAC1-chloro-2-(3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienyl)benzene
SMILESClc1ccccc1C=C=CC1=CC=CC1
InChIInChI=1S/C14H11Cl/c15-14-11-4-3-9-13(14)10-5-8-12-6-1-2-7-12/h1-4,6,8-11H,7H2
InChIKeyDODZUFCATUVLKF-UHFFFAOYSA-N
MW214.69 g/mol
LogP4.39
Rot. Bonds2

About 1-chloro-2-(3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienyl)benzene

1-chloro-2-(3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienyl)benzene (PubChem CID 176545927) has the molecular formula C14H11Cl and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-chloro-2-(3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienyl)benzene
PubChem CID176545927
Molecular FormulaC14H11Cl
Molecular Weight214.69 g/mol
Exact Mass214.05
IUPAC Name1-chloro-2-(3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienyl)benzene
SMILESClc1ccccc1C=C=CC1=CC=CC1
InChIInChI=1S/C14H11Cl/c15-14-11-4-3-9-13(14)10-5-8-12-6-1-2-7-12/h1-4,6,8-11H,7H2
InChIKeyDODZUFCATUVLKF-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienyl)benzene?
The IUPAC name of 1-chloro-2-(3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienyl)benzene (CID 176545927) is 1-chloro-2-(3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienyl)benzene.
What is the SMILES notation for 1-chloro-2-(3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienyl)benzene?
The canonical SMILES for 1-chloro-2-(3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienyl)benzene is Clc1ccccc1C=C=CC1=CC=CC1.
What is the InChIKey of 1-chloro-2-(3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienyl)benzene?
The InChIKey is DODZUFCATUVLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl/c15-14-11-4-3-9-13(14)10-5-8-12-6-1-2-7-12/h1-4,6,8-11H,7H2.
What are the key properties of 1-chloro-2-(3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienyl)benzene?
1-chloro-2-(3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienyl)benzene has a molecular weight of 214.69 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienyl)benzene is sourced from PubChem (CID 176545927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).