2-benzyl-3-phenylpropan-1-ol

C16H18O — CID 12524339

IUPAC2-benzyl-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H18O/c17-13-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKeyOHNCDSSPYFWFDV-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.08
Rot. Bonds5

About 2-benzyl-3-phenylpropan-1-ol

2-benzyl-3-phenylpropan-1-ol (PubChem CID 12524339) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-benzyl-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-benzyl-3-phenylpropan-1-ol
PubChem CID12524339
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name2-benzyl-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H18O/c17-13-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKeyOHNCDSSPYFWFDV-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-phenylpropan-1-ol?
The IUPAC name of 2-benzyl-3-phenylpropan-1-ol (CID 12524339) is 2-benzyl-3-phenylpropan-1-ol.
What is the SMILES notation for 2-benzyl-3-phenylpropan-1-ol?
The canonical SMILES for 2-benzyl-3-phenylpropan-1-ol is OCC(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-phenylpropan-1-ol?
The InChIKey is OHNCDSSPYFWFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c17-13-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2.
What are the key properties of 2-benzyl-3-phenylpropan-1-ol?
2-benzyl-3-phenylpropan-1-ol has a molecular weight of 226.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-phenylpropan-1-ol is sourced from PubChem (CID 12524339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).