3-phenylbutan-2-ylbenzene

C16H18 — CID 20735

IUPAC3-phenylbutan-2-ylbenzene
SMILESCC(c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C16H18/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyNGCFVIRRWORSML-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.59
Rot. Bonds3

About 3-phenylbutan-2-ylbenzene

3-phenylbutan-2-ylbenzene (PubChem CID 20735) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-phenylbutan-2-ylbenzene.

Molecular Properties

Compound Name3-phenylbutan-2-ylbenzene
PubChem CID20735
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name3-phenylbutan-2-ylbenzene
SMILESCC(c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C16H18/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyNGCFVIRRWORSML-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
P-Cymene
CID 7463
Cumene
CID 7406
Butylbenzene
CID 7705
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
Tert-Butylbenzene
CID 7366
M-Terphenyl
CID 7076
4-tert-Butyltoluene
CID 7390

Frequently Asked Questions

What is the IUPAC name of 3-phenylbutan-2-ylbenzene?
The IUPAC name of 3-phenylbutan-2-ylbenzene (CID 20735) is 3-phenylbutan-2-ylbenzene.
What is the SMILES notation for 3-phenylbutan-2-ylbenzene?
The canonical SMILES for 3-phenylbutan-2-ylbenzene is CC(c1ccccc1)C(C)c1ccccc1.
What is the InChIKey of 3-phenylbutan-2-ylbenzene?
The InChIKey is NGCFVIRRWORSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-14H,1-2H3.
What are the key properties of 3-phenylbutan-2-ylbenzene?
3-phenylbutan-2-ylbenzene has a molecular weight of 210.32 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbutan-2-ylbenzene is sourced from PubChem (CID 20735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).