1-cyclobutyl-2-phenylbenzene

C16H16 — CID 23453799

IUPAC1-cyclobutyl-2-phenylbenzene
SMILESc1ccc(-c2ccccc2C2CCC2)cc1
InChIInChI=1S/C16H16/c1-2-7-13(8-3-1)15-11-4-5-12-16(15)14-9-6-10-14/h1-5,7-8,11-12,14H,6,9-10H2
InChIKeyUUOCHCDOASASOV-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.62
Rot. Bonds2

About 1-cyclobutyl-2-phenylbenzene

1-cyclobutyl-2-phenylbenzene (PubChem CID 23453799) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-cyclobutyl-2-phenylbenzene.

Molecular Properties

Compound Name1-cyclobutyl-2-phenylbenzene
PubChem CID23453799
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name1-cyclobutyl-2-phenylbenzene
SMILESc1ccc(-c2ccccc2C2CCC2)cc1
InChIInChI=1S/C16H16/c1-2-7-13(8-3-1)15-11-4-5-12-16(15)14-9-6-10-14/h1-5,7-8,11-12,14H,6,9-10H2
InChIKeyUUOCHCDOASASOV-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-cyclobutyl-2-phenylbenzene 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 1-cyclobutyl-2-phenylbenzene?
The IUPAC name of 1-cyclobutyl-2-phenylbenzene (CID 23453799) is 1-cyclobutyl-2-phenylbenzene.
What is the SMILES notation for 1-cyclobutyl-2-phenylbenzene?
The canonical SMILES for 1-cyclobutyl-2-phenylbenzene is c1ccc(-c2ccccc2C2CCC2)cc1.
What is the InChIKey of 1-cyclobutyl-2-phenylbenzene?
The InChIKey is UUOCHCDOASASOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-2-7-13(8-3-1)15-11-4-5-12-16(15)14-9-6-10-14/h1-5,7-8,11-12,14H,6,9-10H2.
What are the key properties of 1-cyclobutyl-2-phenylbenzene?
1-cyclobutyl-2-phenylbenzene has a molecular weight of 208.30 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-phenylbenzene is sourced from PubChem (CID 23453799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).