1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene

C16H15Cl — CID 11379525

IUPAC1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene
SMILESCc1ccc(/C=C/Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15Cl/c1-13-5-7-14(8-6-13)3-2-4-15-9-11-16(17)12-10-15/h2-3,5-12H,4H2,1H3/b3-2+
InChIKeyJWSWPTMVVGHUQP-NSCUHMNNSA-N
MW242.75 g/mol
LogP4.90
Rot. Bonds3

About 1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene

1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene (PubChem CID 11379525) has the molecular formula C16H15Cl and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene
PubChem CID11379525
Molecular FormulaC16H15Cl
Molecular Weight242.75 g/mol
Exact Mass242.09
IUPAC Name1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene
SMILESCc1ccc(/C=C/Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15Cl/c1-13-5-7-14(8-6-13)3-2-4-15-9-11-16(17)12-10-15/h2-3,5-12H,4H2,1H3/b3-2+
InChIKeyJWSWPTMVVGHUQP-NSCUHMNNSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene (CID 11379525) is 1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene is Cc1ccc(/C=C/Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene?
The InChIKey is JWSWPTMVVGHUQP-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H15Cl/c1-13-5-7-14(8-6-13)3-2-4-15-9-11-16(17)12-10-15/h2-3,5-12H,4H2,1H3/b3-2+.
What are the key properties of 1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene?
1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene has a molecular weight of 242.75 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene is sourced from PubChem (CID 11379525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).