2-methylpropylbenzene

C10H14 — CID 10870

IUPAC2-methylpropylbenzene
SMILESCC(C)Cc1ccccc1
InChIInChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyKXUHSQYYJYAXGZ-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.89
Rot. Bonds2

About 2-methylpropylbenzene

2-methylpropylbenzene (PubChem CID 10870) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 2-methylpropylbenzene.

Molecular Properties

Compound Name2-methylpropylbenzene
PubChem CID10870
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name2-methylpropylbenzene
SMILESCC(C)Cc1ccccc1
InChIInChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyKXUHSQYYJYAXGZ-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-methylpropylbenzene 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 2-methylpropylbenzene?
The IUPAC name of 2-methylpropylbenzene (CID 10870) is 2-methylpropylbenzene.
What is the SMILES notation for 2-methylpropylbenzene?
The canonical SMILES for 2-methylpropylbenzene is CC(C)Cc1ccccc1.
What is the InChIKey of 2-methylpropylbenzene?
The InChIKey is KXUHSQYYJYAXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-methylpropylbenzene?
2-methylpropylbenzene has a molecular weight of 134.22 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylbenzene is sourced from PubChem (CID 10870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).