1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene

C13H16 — CID 143856242

IUPAC1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1cc(/C=C/C)ccc1C
InChIInChI=1S/C13H16/c1-4-6-12-9-8-11(3)13(10-12)7-5-2/h4-10H,1-3H3/b6-4+,7-5-
InChIKeyWTLFEHKCLSAYHC-GUBXDBFYSA-N
MW172.27 g/mol
LogP4.06
Rot. Bonds2

About 1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene

1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene (PubChem CID 143856242) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene
PubChem CID143856242
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1cc(/C=C/C)ccc1C
InChIInChI=1S/C13H16/c1-4-6-12-9-8-11(3)13(10-12)7-5-2/h4-10H,1-3H3/b6-4+,7-5-
InChIKeyWTLFEHKCLSAYHC-GUBXDBFYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-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-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene?
The IUPAC name of 1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene (CID 143856242) is 1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for 1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for 1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene is C/C=C\c1cc(/C=C/C)ccc1C.
What is the InChIKey of 1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene?
The InChIKey is WTLFEHKCLSAYHC-GUBXDBFYSA-N. The full InChI is InChI=1S/C13H16/c1-4-6-12-9-8-11(3)13(10-12)7-5-2/h4-10H,1-3H3/b6-4+,7-5-.
What are the key properties of 1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene?
1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene has a molecular weight of 172.27 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 143856242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).