1-chloro-4-(2-cyclopenta-2,4-dien-1-ylideneethyl)benzene

C13H11Cl — CID 174677071

IUPAC1-chloro-4-(2-cyclopenta-2,4-dien-1-ylideneethyl)benzene
SMILESClc1ccc(CC=C2C=CC=C2)cc1
InChIInChI=1S/C13H11Cl/c14-13-9-7-12(8-10-13)6-5-11-3-1-2-4-11/h1-5,7-10H,6H2
InChIKeyGWUZHXWMWZXFSF-UHFFFAOYSA-N
MW202.68 g/mol
LogP3.93
Rot. Bonds2

About 1-chloro-4-(2-cyclopenta-2,4-dien-1-ylideneethyl)benzene

1-chloro-4-(2-cyclopenta-2,4-dien-1-ylideneethyl)benzene (PubChem CID 174677071) has the molecular formula C13H11Cl and a molecular weight of 202.68 g/mol. Its IUPAC name is 1-chloro-4-(2-cyclopenta-2,4-dien-1-ylideneethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(2-cyclopenta-2,4-dien-1-ylideneethyl)benzene
PubChem CID174677071
Molecular FormulaC13H11Cl
Molecular Weight202.68 g/mol
Exact Mass202.05
IUPAC Name1-chloro-4-(2-cyclopenta-2,4-dien-1-ylideneethyl)benzene
SMILESClc1ccc(CC=C2C=CC=C2)cc1
InChIInChI=1S/C13H11Cl/c14-13-9-7-12(8-10-13)6-5-11-3-1-2-4-11/h1-5,7-10H,6H2
InChIKeyGWUZHXWMWZXFSF-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(E)-4-(4-chlorophenyl)but-2-en-1-amine
CID 105439819
magnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride
CID 173424213
N-[(4-chlorophenyl)methyl]methanethioamide
CID 58279664
(4-chlorophenyl)methyl thiohypochlorite
CID 57103251
CID 155577054
CID 155577054
(4-chlorophenyl)methylphosphane
CID 21076076
1-chloro-4-(3,3-diphenylprop-2-enyl)benzene
CID 174797148
4-(4-chlorophenyl)but-2-enyl formate
CID 91308885
1-chloro-4-[(E)-3-(4-methylphenyl)prop-1-enyl]benzene
CID 25149973
1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene
CID 11379525
(4-chlorophenyl)methyl-trimethylazanium bromide
CID 14157089
azane;1,4-dichlorobenzene
CID 69330361

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-cyclopenta-2,4-dien-1-ylideneethyl)benzene?
The IUPAC name of 1-chloro-4-(2-cyclopenta-2,4-dien-1-ylideneethyl)benzene (CID 174677071) is 1-chloro-4-(2-cyclopenta-2,4-dien-1-ylideneethyl)benzene.
What is the SMILES notation for 1-chloro-4-(2-cyclopenta-2,4-dien-1-ylideneethyl)benzene?
The canonical SMILES for 1-chloro-4-(2-cyclopenta-2,4-dien-1-ylideneethyl)benzene is Clc1ccc(CC=C2C=CC=C2)cc1.
What is the InChIKey of 1-chloro-4-(2-cyclopenta-2,4-dien-1-ylideneethyl)benzene?
The InChIKey is GWUZHXWMWZXFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl/c14-13-9-7-12(8-10-13)6-5-11-3-1-2-4-11/h1-5,7-10H,6H2.
What are the key properties of 1-chloro-4-(2-cyclopenta-2,4-dien-1-ylideneethyl)benzene?
1-chloro-4-(2-cyclopenta-2,4-dien-1-ylideneethyl)benzene has a molecular weight of 202.68 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-cyclopenta-2,4-dien-1-ylideneethyl)benzene is sourced from PubChem (CID 174677071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).