3-phenylpropylbenzene

C15H16 — CID 14125

IUPAC3-phenylpropylbenzene
SMILESc1ccc(CCCc2ccccc2)cc1
InChIInChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyVEAFKIYNHVBNIP-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.86
Rot. Bonds4

About 3-phenylpropylbenzene

3-phenylpropylbenzene (PubChem CID 14125) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-phenylpropylbenzene.

Molecular Properties

Compound Name3-phenylpropylbenzene
PubChem CID14125
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name3-phenylpropylbenzene
SMILESc1ccc(CCCc2ccccc2)cc1
InChIInChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyVEAFKIYNHVBNIP-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-phenylpropylbenzene?
The IUPAC name of 3-phenylpropylbenzene (CID 14125) is 3-phenylpropylbenzene.
What is the SMILES notation for 3-phenylpropylbenzene?
The canonical SMILES for 3-phenylpropylbenzene is c1ccc(CCCc2ccccc2)cc1.
What is the InChIKey of 3-phenylpropylbenzene?
The InChIKey is VEAFKIYNHVBNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2.
What are the key properties of 3-phenylpropylbenzene?
3-phenylpropylbenzene has a molecular weight of 196.29 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropylbenzene is sourced from PubChem (CID 14125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).