1-chloro-4-[1-(4-chlorophenyl)-2-[(2S,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene

C19H16Cl2 — CID 101080974

IUPAC1-chloro-4-[1-(4-chlorophenyl)-2-[(2S,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene
SMILESC[C@@H]1C(=C=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)[C@@H]1C
InChIInChI=1S/C19H16Cl2/c1-12-13(2)18(12)11-19(14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10,12-13H,1-2H3/t12-,13+
InChIKeyJOKHNWPIEJBAKF-BETUJISGSA-N
MW315.24 g/mol
LogP6.24
Rot. Bonds2

About 1-chloro-4-[1-(4-chlorophenyl)-2-[(2S,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene

1-chloro-4-[1-(4-chlorophenyl)-2-[(2S,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene (PubChem CID 101080974) has the molecular formula C19H16Cl2 and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-chloro-4-[1-(4-chlorophenyl)-2-[(2S,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-(4-chlorophenyl)-2-[(2S,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene
PubChem CID101080974
Molecular FormulaC19H16Cl2
Molecular Weight315.24 g/mol
Exact Mass314.06
IUPAC Name1-chloro-4-[1-(4-chlorophenyl)-2-[(2S,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene
SMILESC[C@@H]1C(=C=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)[C@@H]1C
InChIInChI=1S/C19H16Cl2/c1-12-13(2)18(12)11-19(14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10,12-13H,1-2H3/t12-,13+
InChIKeyJOKHNWPIEJBAKF-BETUJISGSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.24
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-[1-(4-chlorophenyl)-2-[(2R,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene
CID 101080964
(1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane
CID 154719860
6-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[3.1.0]hexane
CID 135072018
(1R,5S)-3-[2,2-bis(4-chlorophenyl)ethenylidene]tricyclo[3.2.1.02,4]oct-6-ene
CID 11759906
1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene
CID 134977772
1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
CID 13114440
(3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 103576119
(E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol
CID 101018252
1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene
CID 101072284
1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene
CID 11445579
(NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine
CID 173159716
1-chloro-4-(1-fluoroprop-1-enyl)benzene
CID 66592587

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-(4-chlorophenyl)-2-[(2S,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene?
The IUPAC name of 1-chloro-4-[1-(4-chlorophenyl)-2-[(2S,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene (CID 101080974) is 1-chloro-4-[1-(4-chlorophenyl)-2-[(2S,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene.
What is the SMILES notation for 1-chloro-4-[1-(4-chlorophenyl)-2-[(2S,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene?
The canonical SMILES for 1-chloro-4-[1-(4-chlorophenyl)-2-[(2S,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene is C[C@@H]1C(=C=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)[C@@H]1C.
What is the InChIKey of 1-chloro-4-[1-(4-chlorophenyl)-2-[(2S,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene?
The InChIKey is JOKHNWPIEJBAKF-BETUJISGSA-N. The full InChI is InChI=1S/C19H16Cl2/c1-12-13(2)18(12)11-19(14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10,12-13H,1-2H3/t12-,13+.
What are the key properties of 1-chloro-4-[1-(4-chlorophenyl)-2-[(2S,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene?
1-chloro-4-[1-(4-chlorophenyl)-2-[(2S,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene has a molecular weight of 315.24 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-(4-chlorophenyl)-2-[(2S,3R)-2,3-dimethylcyclopropylidene]ethenyl]benzene is sourced from PubChem (CID 101080974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).