6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane

C20H16Cl2 — CID 135072018

IUPAC6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane
SMILESClc1ccc(C(=C=C2C3CCCC23)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16Cl2/c21-15-8-4-13(5-9-15)19(14-6-10-16(22)11-7-14)12-20-17-2-1-3-18(17)20/h4-11,17-18H,1-3H2
InChIKeyJQDWHEUAMYHUDP-UHFFFAOYSA-N
MW327.25 g/mol
LogP6.38
Rot. Bonds2

About 6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane

6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane (PubChem CID 135072018) has the molecular formula C20H16Cl2 and a molecular weight of 327.25 g/mol. Its IUPAC name is 6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane
PubChem CID135072018
Molecular FormulaC20H16Cl2
Molecular Weight327.25 g/mol
Exact Mass326.06
IUPAC Name6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane
SMILESClc1ccc(C(=C=C2C3CCCC23)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16Cl2/c21-15-8-4-13(5-9-15)19(14-6-10-16(22)11-7-14)12-20-17-2-1-3-18(17)20/h4-11,17-18H,1-3H2
InChIKeyJQDWHEUAMYHUDP-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.25
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane
CID 154719860
(1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane
CID 101186507
1-chloro-4-[1-(4-chlorophenyl)-2-[(2R,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene
CID 101080964
1-chloro-4-[1-(4-chlorophenyl)-2-[(2S,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene
CID 101080974
(1R,5S)-3-[2,2-bis(4-chlorophenyl)ethenylidene]tricyclo[3.2.1.02,4]oct-6-ene
CID 11759906
2-(4-chlorobenzoyl)cyclopentane-1-carboxylic acid
CID 53411598
[(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone
CID 11176237
trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol
CID 94503733
cis-(1R,2R)-2-(4-chlorophenyl)cyclopentan-1-amine
CID 11095547
2-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid
CID 54395284
(1R,2R,4S,5S)-2,4-bis(4-chlorophenyl)-3-azoniabicyclo[3.3.1]nonan-9-one
CID 7329764
9-[(Z)-1-(4-chlorophenyl)prop-1-enoxy]-9-borabicyclo[3.3.1]nonane
CID 122206589

Frequently Asked Questions

What is the IUPAC name of 6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane?
The IUPAC name of 6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane (CID 135072018) is 6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane.
What is the SMILES notation for 6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane?
The canonical SMILES for 6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane is Clc1ccc(C(=C=C2C3CCCC23)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane?
The InChIKey is JQDWHEUAMYHUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2/c21-15-8-4-13(5-9-15)19(14-6-10-16(22)11-7-14)12-20-17-2-1-3-18(17)20/h4-11,17-18H,1-3H2.
What are the key properties of 6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane?
6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane has a molecular weight of 327.25 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane is sourced from PubChem (CID 135072018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).