1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol

C16H17FO2 — CID 103394960

IUPAC1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol
SMILESCCC(O)(c1ccccc1)c1ccc(OC)cc1F
InChIInChI=1S/C16H17FO2/c1-3-16(18,12-7-5-4-6-8-12)14-10-9-13(19-2)11-15(14)17/h4-11,18H,3H2,1-2H3
InChIKeyLITITCOGNDOHGO-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.48
Rot. Bonds4

About 1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol

1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol (PubChem CID 103394960) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol
PubChem CID103394960
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol
SMILESCCC(O)(c1ccccc1)c1ccc(OC)cc1F
InChIInChI=1S/C16H17FO2/c1-3-16(18,12-7-5-4-6-8-12)14-10-9-13(19-2)11-15(14)17/h4-11,18H,3H2,1-2H3
InChIKeyLITITCOGNDOHGO-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-1-phenylpropan-1-ol
CID 62800875
2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene
CID 134360467
bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
1-(2-fluorophenyl)-1-(4-methylphenyl)propan-1-ol
CID 112679383
1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872327
2-fluoro-2-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 69346788
[5-methoxy-2-(methoxymethoxy)phenyl]-diphenylmethanol
CID 142656877
1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 115996402
3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol
CID 116696320
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 103395200

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol (CID 103394960) is 1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol is CCC(O)(c1ccccc1)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol?
The InChIKey is LITITCOGNDOHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-3-16(18,12-7-5-4-6-8-12)14-10-9-13(19-2)11-15(14)17/h4-11,18H,3H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol?
1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol has a molecular weight of 260.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol is sourced from PubChem (CID 103394960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).