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

C16H16F2O2 — CID 104793004

IUPAC1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol
SMILESCOc1cccc(CC(C)(O)c2cccc(F)c2)c1F
InChIInChI=1S/C16H16F2O2/c1-16(19,12-6-4-7-13(17)9-12)10-11-5-3-8-14(20-2)15(11)18/h3-9,19H,10H2,1-2H3
InChIKeyYQFARDXBHIJOHF-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.42
Rot. Bonds4

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

1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol (PubChem CID 104793004) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol
PubChem CID104793004
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol
SMILESCOc1cccc(CC(C)(O)c2cccc(F)c2)c1F
InChIInChI=1S/C16H16F2O2/c1-16(19,12-6-4-7-13(17)9-12)10-11-5-3-8-14(20-2)15(11)18/h3-9,19H,10H2,1-2H3
InChIKeyYQFARDXBHIJOHF-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol
CID 104793000
3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol
CID 104793017
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833315
1-(2,3-difluorophenyl)-2-(2-methoxyphenyl)propan-2-ol
CID 65144915
2-(5-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)propan-2-ol
CID 114832664
1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62787268
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872327
3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 104794636
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol
CID 113453954
2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol
CID 65479485

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol (CID 104793004) is 1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol is COc1cccc(CC(C)(O)c2cccc(F)c2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol?
The InChIKey is YQFARDXBHIJOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-16(19,12-6-4-7-13(17)9-12)10-11-5-3-8-14(20-2)15(11)18/h3-9,19H,10H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol?
1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol has a molecular weight of 278.30 g/mol, XLogP of 3.42, 4 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-(3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 104793004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).