1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene

C18H20 — CID 54424619

IUPAC1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene
SMILESCC(=CCc1ccccc1C)c1ccccc1C
InChIInChI=1S/C18H20/c1-14-8-4-6-10-17(14)13-12-16(3)18-11-7-5-9-15(18)2/h4-12H,13H2,1-3H3
InChIKeyWDEZARLOQGCRQZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.95
Rot. Bonds3

About 1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene

1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene (PubChem CID 54424619) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene
PubChem CID54424619
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene
SMILESCC(=CCc1ccccc1C)c1ccccc1C
InChIInChI=1S/C18H20/c1-14-8-4-6-10-17(14)13-12-16(3)18-11-7-5-9-15(18)2/h4-12H,13H2,1-3H3
InChIKeyWDEZARLOQGCRQZ-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(Z)-4-(2-methylphenyl)pent-3-en-2-one
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(Z)-3-(2-methylphenyl)but-2-en-1-imine
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1-methyl-2-prop-2-enylbenzene;sulfane
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1-methyl-2-[(Z)-5-methyl-4-methylidenehex-2-en-2-yl]benzene
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene?
The IUPAC name of 1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene (CID 54424619) is 1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene.
What is the SMILES notation for 1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene?
The canonical SMILES for 1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene is CC(=CCc1ccccc1C)c1ccccc1C.
What is the InChIKey of 1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene?
The InChIKey is WDEZARLOQGCRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-14-8-4-6-10-17(14)13-12-16(3)18-11-7-5-9-15(18)2/h4-12H,13H2,1-3H3.
What are the key properties of 1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene?
1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene has a molecular weight of 236.36 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene is sourced from PubChem (CID 54424619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).