1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene

C18H20 — CID 57014640

IUPAC1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene
SMILESCCc1ccc(C=CCc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20/c1-3-16-11-13-18(14-12-16)6-4-5-17-9-7-15(2)8-10-17/h4,6-14H,3,5H2,1-2H3
InChIKeyPNUADJMWUNRRAA-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.81
Rot. Bonds4

About 1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene

1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene (PubChem CID 57014640) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene
PubChem CID57014640
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene
SMILESCCc1ccc(C=CCc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20/c1-3-16-11-13-18(14-12-16)6-4-5-17-9-7-15(2)8-10-17/h4,6-14H,3,5H2,1-2H3
InChIKeyPNUADJMWUNRRAA-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-4-[3-(4-methylphenyl)prop-1-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-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene?
The IUPAC name of 1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene (CID 57014640) is 1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene.
What is the SMILES notation for 1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene?
The canonical SMILES for 1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene is CCc1ccc(C=CCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene?
The InChIKey is PNUADJMWUNRRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-3-16-11-13-18(14-12-16)6-4-5-17-9-7-15(2)8-10-17/h4,6-14H,3,5H2,1-2H3.
What are the key properties of 1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene?
1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene has a molecular weight of 236.36 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene is sourced from PubChem (CID 57014640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).