1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene

C18H20 — CID 54473536

IUPAC1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene
SMILESCc1ccccc1C=CC(C)(C)c1ccccc1
InChIInChI=1S/C18H20/c1-15-9-7-8-10-16(15)13-14-18(2,3)17-11-5-4-6-12-17/h4-14H,1-3H3
InChIKeyXJYQXBVJRABMSC-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.99
Rot. Bonds3

About 1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene

1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene (PubChem CID 54473536) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene
PubChem CID54473536
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene
SMILESCc1ccccc1C=CC(C)(C)c1ccccc1
InChIInChI=1S/C18H20/c1-15-9-7-8-10-16(15)13-14-18(2,3)17-11-5-4-6-12-17/h4-14H,1-3H3
InChIKeyXJYQXBVJRABMSC-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene?
The IUPAC name of 1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene (CID 54473536) is 1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene.
What is the SMILES notation for 1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene?
The canonical SMILES for 1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene is Cc1ccccc1C=CC(C)(C)c1ccccc1.
What is the InChIKey of 1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene?
The InChIKey is XJYQXBVJRABMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-15-9-7-8-10-16(15)13-14-18(2,3)17-11-5-4-6-12-17/h4-14H,1-3H3.
What are the key properties of 1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene?
1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene has a molecular weight of 236.36 g/mol, XLogP of 4.99, 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-methyl-3-phenylbut-1-enyl)benzene is sourced from PubChem (CID 54473536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).