1-methyl-2-[(E)-3-phenylhex-1-enyl]benzene

C19H22 — CID 143657979

IUPAC1-methyl-2-[(E)-3-phenylhex-1-enyl]benzene
SMILESCCCC(/C=C/c1ccccc1C)c1ccccc1
InChIInChI=1S/C19H22/c1-3-9-18(19-12-5-4-6-13-19)15-14-17-11-8-7-10-16(17)2/h4-8,10-15,18H,3,9H2,1-2H3/b15-14+
InChIKeyGHNFMKIMGAAJSJ-CCEZHUSRSA-N
MW250.38 g/mol
LogP5.59
Rot. Bonds5

About 1-methyl-2-[(E)-3-phenylhex-1-enyl]benzene

1-methyl-2-[(E)-3-phenylhex-1-enyl]benzene (PubChem CID 143657979) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-methyl-2-[(E)-3-phenylhex-1-enyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[(E)-3-phenylhex-1-enyl]benzene
PubChem CID143657979
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name1-methyl-2-[(E)-3-phenylhex-1-enyl]benzene
SMILESCCCC(/C=C/c1ccccc1C)c1ccccc1
InChIInChI=1S/C19H22/c1-3-9-18(19-12-5-4-6-13-19)15-14-17-11-8-7-10-16(17)2/h4-8,10-15,18H,3,9H2,1-2H3/b15-14+
InChIKeyGHNFMKIMGAAJSJ-CCEZHUSRSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-2-[(E)-3-phenylhex-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-2-[(E)-3-phenylhex-1-enyl]benzene?
The IUPAC name of 1-methyl-2-[(E)-3-phenylhex-1-enyl]benzene (CID 143657979) is 1-methyl-2-[(E)-3-phenylhex-1-enyl]benzene.
What is the SMILES notation for 1-methyl-2-[(E)-3-phenylhex-1-enyl]benzene?
The canonical SMILES for 1-methyl-2-[(E)-3-phenylhex-1-enyl]benzene is CCCC(/C=C/c1ccccc1C)c1ccccc1.
What is the InChIKey of 1-methyl-2-[(E)-3-phenylhex-1-enyl]benzene?
The InChIKey is GHNFMKIMGAAJSJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H22/c1-3-9-18(19-12-5-4-6-13-19)15-14-17-11-8-7-10-16(17)2/h4-8,10-15,18H,3,9H2,1-2H3/b15-14+.
What are the key properties of 1-methyl-2-[(E)-3-phenylhex-1-enyl]benzene?
1-methyl-2-[(E)-3-phenylhex-1-enyl]benzene has a molecular weight of 250.38 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(E)-3-phenylhex-1-enyl]benzene is sourced from PubChem (CID 143657979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).