1-(2-benzylphenyl)butan-1-ol

C17H20O — CID 101274232

IUPAC1-(2-benzylphenyl)butan-1-ol
SMILESCCCC(O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C17H20O/c1-2-8-17(18)16-12-7-6-11-15(16)13-14-9-4-3-5-10-14/h3-7,9-12,17-18H,2,8,13H2,1H3
InChIKeyZSSNEQRHBSXLHG-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.11
Rot. Bonds5

About 1-(2-benzylphenyl)butan-1-ol

1-(2-benzylphenyl)butan-1-ol (PubChem CID 101274232) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-benzylphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(2-benzylphenyl)butan-1-ol
PubChem CID101274232
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-(2-benzylphenyl)butan-1-ol
SMILESCCCC(O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C17H20O/c1-2-8-17(18)16-12-7-6-11-15(16)13-14-9-4-3-5-10-14/h3-7,9-12,17-18H,2,8,13H2,1H3
InChIKeyZSSNEQRHBSXLHG-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-2-propan-2-ylbenzene
CID 13215617
1-benzyl-2-(1-phenylbutan-2-yl)benzene
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1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol
CID 83951053
3-(2-benzylphenyl)-2-oxobutanoic acid
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1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol
CID 114979028
(1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol
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1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol
CID 141441967
benzylbenzene;methoxymethane
CID 161110966
2-benzylphenol;ethane
CID 91068983
2-benzyl-N-(2-methylpentyl)aniline
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1-phenylhexane-2,3-diol
CID 68731092
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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylphenyl)butan-1-ol?
The IUPAC name of 1-(2-benzylphenyl)butan-1-ol (CID 101274232) is 1-(2-benzylphenyl)butan-1-ol.
What is the SMILES notation for 1-(2-benzylphenyl)butan-1-ol?
The canonical SMILES for 1-(2-benzylphenyl)butan-1-ol is CCCC(O)c1ccccc1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylphenyl)butan-1-ol?
The InChIKey is ZSSNEQRHBSXLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-2-8-17(18)16-12-7-6-11-15(16)13-14-9-4-3-5-10-14/h3-7,9-12,17-18H,2,8,13H2,1H3.
What are the key properties of 1-(2-benzylphenyl)butan-1-ol?
1-(2-benzylphenyl)butan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylphenyl)butan-1-ol is sourced from PubChem (CID 101274232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).