2-methoxy-1-(4-phenylphenyl)butan-1-ol

C17H20O2 — CID 116710860

IUPAC2-methoxy-1-(4-phenylphenyl)butan-1-ol
SMILESCCC(OC)C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20O2/c1-3-16(19-2)17(18)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12,16-18H,3H2,1-2H3
InChIKeyWOPAYVIIBXIFEF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.81
Rot. Bonds5

About 2-methoxy-1-(4-phenylphenyl)butan-1-ol

2-methoxy-1-(4-phenylphenyl)butan-1-ol (PubChem CID 116710860) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methoxy-1-(4-phenylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-methoxy-1-(4-phenylphenyl)butan-1-ol
PubChem CID116710860
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name2-methoxy-1-(4-phenylphenyl)butan-1-ol
SMILESCCC(OC)C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20O2/c1-3-16(19-2)17(18)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12,16-18H,3H2,1-2H3
InChIKeyWOPAYVIIBXIFEF-UHFFFAOYSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(4-phenylphenyl)butan-1-ol
CID 63425864
2-methoxy-1-(4-propylphenyl)butan-1-ol
CID 116710776
[2-methoxy-1-(4-phenylphenyl)butyl]hydrazine
CID 105270591
3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol
CID 175226150
1-(3-ethylphenyl)-2-methoxybutan-1-ol
CID 116710803
2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 116710731
4-(4-phenylphenyl)hexan-3-ol
CID 175539403
3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile
CID 79136873
1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol
CID 107128607
2-methoxy-1-(2-propoxyphenyl)butan-1-ol
CID 116710813
2-methoxy-1-(3-propylphenyl)butan-1-ol
CID 116710935
1-(4-phenylphenyl)butane-1,2,4-triol
CID 171873101

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-phenylphenyl)butan-1-ol?
The IUPAC name of 2-methoxy-1-(4-phenylphenyl)butan-1-ol (CID 116710860) is 2-methoxy-1-(4-phenylphenyl)butan-1-ol.
What is the SMILES notation for 2-methoxy-1-(4-phenylphenyl)butan-1-ol?
The canonical SMILES for 2-methoxy-1-(4-phenylphenyl)butan-1-ol is CCC(OC)C(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-methoxy-1-(4-phenylphenyl)butan-1-ol?
The InChIKey is WOPAYVIIBXIFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-3-16(19-2)17(18)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12,16-18H,3H2,1-2H3.
What are the key properties of 2-methoxy-1-(4-phenylphenyl)butan-1-ol?
2-methoxy-1-(4-phenylphenyl)butan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-phenylphenyl)butan-1-ol is sourced from PubChem (CID 116710860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).