(4-methylcyclobuten-1-yl)benzene

C11H12 — CID 173414108

IUPAC(4-methylcyclobuten-1-yl)benzene
SMILESCC1CC=C1c1ccccc1
InChIInChI=1S/C11H12/c1-9-7-8-11(9)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKeyPHMARSXMLHLBAL-UHFFFAOYSA-N
MW144.22 g/mol
LogP3.11
Rot. Bonds1

About (4-methylcyclobuten-1-yl)benzene

(4-methylcyclobuten-1-yl)benzene (PubChem CID 173414108) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is (4-methylcyclobuten-1-yl)benzene.

Molecular Properties

Compound Name(4-methylcyclobuten-1-yl)benzene
PubChem CID173414108
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Name(4-methylcyclobuten-1-yl)benzene
SMILESCC1CC=C1c1ccccc1
InChIInChI=1S/C11H12/c1-9-7-8-11(9)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKeyPHMARSXMLHLBAL-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclobuten-1-yl)benzene?
The IUPAC name of (4-methylcyclobuten-1-yl)benzene (CID 173414108) is (4-methylcyclobuten-1-yl)benzene.
What is the SMILES notation for (4-methylcyclobuten-1-yl)benzene?
The canonical SMILES for (4-methylcyclobuten-1-yl)benzene is CC1CC=C1c1ccccc1.
What is the InChIKey of (4-methylcyclobuten-1-yl)benzene?
The InChIKey is PHMARSXMLHLBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12/c1-9-7-8-11(9)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3.
What are the key properties of (4-methylcyclobuten-1-yl)benzene?
(4-methylcyclobuten-1-yl)benzene has a molecular weight of 144.22 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclobuten-1-yl)benzene is sourced from PubChem (CID 173414108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).