1-phenyl-4-propan-2-ylbenzene

C15H16 — CID 23503

IUPAC1-phenyl-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyKWSHGRJUSUJPQD-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.48
Rot. Bonds2

About 1-phenyl-4-propan-2-ylbenzene

1-phenyl-4-propan-2-ylbenzene (PubChem CID 23503) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-phenyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-phenyl-4-propan-2-ylbenzene
PubChem CID23503
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name1-phenyl-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyKWSHGRJUSUJPQD-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-propan-2-ylbenzene?
The IUPAC name of 1-phenyl-4-propan-2-ylbenzene (CID 23503) is 1-phenyl-4-propan-2-ylbenzene.
What is the SMILES notation for 1-phenyl-4-propan-2-ylbenzene?
The canonical SMILES for 1-phenyl-4-propan-2-ylbenzene is CC(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-4-propan-2-ylbenzene?
The InChIKey is KWSHGRJUSUJPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3.
What are the key properties of 1-phenyl-4-propan-2-ylbenzene?
1-phenyl-4-propan-2-ylbenzene has a molecular weight of 196.29 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-propan-2-ylbenzene is sourced from PubChem (CID 23503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).