2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene

C12H13Cl — CID 153376323

IUPAC2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene
SMILESC=Cc1ccc(/C=C\C)c(C)c1Cl
InChIInChI=1S/C12H13Cl/c1-4-6-11-8-7-10(5-2)12(13)9(11)3/h4-8H,2H2,1,3H3/b6-4-
InChIKeyVDGRRRZUDLDMDI-XQRVVYSFSA-N
MW192.69 g/mol
LogP4.32
Rot. Bonds2

About 2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene

2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene (PubChem CID 153376323) has the molecular formula C12H13Cl and a molecular weight of 192.69 g/mol. Its IUPAC name is 2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Name2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene
PubChem CID153376323
Molecular FormulaC12H13Cl
Molecular Weight192.69 g/mol
Exact Mass192.07
IUPAC Name2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene
SMILESC=Cc1ccc(/C=C\C)c(C)c1Cl
InChIInChI=1S/C12H13Cl/c1-4-6-11-8-7-10(5-2)12(13)9(11)3/h4-8H,2H2,1,3H3/b6-4-
InChIKeyVDGRRRZUDLDMDI-XQRVVYSFSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene?
The IUPAC name of 2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene (CID 153376323) is 2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for 2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for 2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene is C=Cc1ccc(/C=C\C)c(C)c1Cl.
What is the InChIKey of 2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene?
The InChIKey is VDGRRRZUDLDMDI-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H13Cl/c1-4-6-11-8-7-10(5-2)12(13)9(11)3/h4-8H,2H2,1,3H3/b6-4-.
What are the key properties of 2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene?
2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene has a molecular weight of 192.69 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 153376323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).