1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol

C16H16F2O2 — CID 114872327

IUPAC1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
SMILESCCC(O)(c1cccc(F)c1)c1cc(F)ccc1OC
InChIInChI=1S/C16H16F2O2/c1-3-16(19,11-5-4-6-12(17)9-11)14-10-13(18)7-8-15(14)20-2/h4-10,19H,3H2,1-2H3
InChIKeyGFXVUAIYLVMPEF-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.62
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol

1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol (PubChem CID 114872327) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
PubChem CID114872327
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
SMILESCCC(O)(c1cccc(F)c1)c1cc(F)ccc1OC
InChIInChI=1S/C16H16F2O2/c1-3-16(19,11-5-4-6-12(17)9-11)14-10-13(18)7-8-15(14)20-2/h4-10,19H,3H2,1-2H3
InChIKeyGFXVUAIYLVMPEF-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 97294141
1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol
CID 114872310
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 114872417
1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872344
2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene
CID 116841226
1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82769159
2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol
CID 82769735
1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82771079
1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62787268
1-(2-amino-3-pyridinyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872419
1-(2,4-difluorophenyl)-1-phenylpropan-1-ol
CID 62800875
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol (CID 114872327) is 1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol is CCC(O)(c1cccc(F)c1)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol?
The InChIKey is GFXVUAIYLVMPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-3-16(19,11-5-4-6-12(17)9-11)14-10-13(18)7-8-15(14)20-2/h4-10,19H,3H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol?
1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol has a molecular weight of 278.30 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 114872327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).