1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol

C17H19FO2 — CID 115828571

IUPAC1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)c1cccc(OC)c1F
InChIInChI=1S/C17H19FO2/c1-3-13(12-8-5-4-6-9-12)17(19)14-10-7-11-15(20-2)16(14)18/h4-11,13,17,19H,3H2,1-2H3
InChIKeyILZVLBPBAHNECY-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.06
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol

1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol (PubChem CID 115828571) has the molecular formula C17H19FO2 and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol
PubChem CID115828571
Molecular FormulaC17H19FO2
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)c1cccc(OC)c1F
InChIInChI=1S/C17H19FO2/c1-3-13(12-8-5-4-6-9-12)17(19)14-10-7-11-15(20-2)16(14)18/h4-11,13,17,19H,3H2,1-2H3
InChIKeyILZVLBPBAHNECY-UHFFFAOYSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-phenylbutan-1-ol
CID 61086906
1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine
CID 105024997
1-(2-fluoro-3-methoxyphenyl)-2-methylpentan-1-ol
CID 82805526
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol
CID 103454923
2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol
CID 115828563
1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
CID 170819054
1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859159
1-(2-chlorophenyl)-2-phenylbutan-1-ol
CID 114980516
1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol
CID 61082848
1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 167713058
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine
CID 43485711

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol (CID 115828571) is 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol is CCC(c1ccccc1)C(O)c1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol?
The InChIKey is ILZVLBPBAHNECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c1-3-13(12-8-5-4-6-9-12)17(19)14-10-7-11-15(20-2)16(14)18/h4-11,13,17,19H,3H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol?
1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol has a molecular weight of 274.34 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol is sourced from PubChem (CID 115828571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).