2,4-dimethyl-1-(2-methylcyclopropyl)benzene

C12H16 — CID 154093761

IUPAC2,4-dimethyl-1-(2-methylcyclopropyl)benzene
SMILESCc1ccc(C2CC2C)c(C)c1
InChIInChI=1S/C12H16/c1-8-4-5-11(9(2)6-8)12-7-10(12)3/h4-6,10,12H,7H2,1-3H3
InChIKeyHVJQNNSFKPRPAG-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.43
Rot. Bonds1

About 2,4-dimethyl-1-(2-methylcyclopropyl)benzene

2,4-dimethyl-1-(2-methylcyclopropyl)benzene (PubChem CID 154093761) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2,4-dimethyl-1-(2-methylcyclopropyl)benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-(2-methylcyclopropyl)benzene
PubChem CID154093761
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name2,4-dimethyl-1-(2-methylcyclopropyl)benzene
SMILESCc1ccc(C2CC2C)c(C)c1
InChIInChI=1S/C12H16/c1-8-4-5-11(9(2)6-8)12-7-10(12)3/h4-6,10,12H,7H2,1-3H3
InChIKeyHVJQNNSFKPRPAG-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(2-methylcyclopropyl)benzene?
The IUPAC name of 2,4-dimethyl-1-(2-methylcyclopropyl)benzene (CID 154093761) is 2,4-dimethyl-1-(2-methylcyclopropyl)benzene.
What is the SMILES notation for 2,4-dimethyl-1-(2-methylcyclopropyl)benzene?
The canonical SMILES for 2,4-dimethyl-1-(2-methylcyclopropyl)benzene is Cc1ccc(C2CC2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-1-(2-methylcyclopropyl)benzene?
The InChIKey is HVJQNNSFKPRPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-8-4-5-11(9(2)6-8)12-7-10(12)3/h4-6,10,12H,7H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-(2-methylcyclopropyl)benzene?
2,4-dimethyl-1-(2-methylcyclopropyl)benzene has a molecular weight of 160.26 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(2-methylcyclopropyl)benzene is sourced from PubChem (CID 154093761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).