2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol

C16H16F2O2 — CID 114833315

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol
SMILESCOc1ccc(C(C)(O)Cc2cccc(F)c2)cc1F
InChIInChI=1S/C16H16F2O2/c1-16(19,10-11-4-3-5-13(17)8-11)12-6-7-15(20-2)14(18)9-12/h3-9,19H,10H2,1-2H3
InChIKeyYSTFCRQYDNHGGX-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.42
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol

2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol (PubChem CID 114833315) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol
PubChem CID114833315
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol
SMILESCOc1ccc(C(C)(O)Cc2cccc(F)c2)cc1F
InChIInChI=1S/C16H16F2O2/c1-16(19,10-11-4-3-5-13(17)8-11)12-6-7-15(20-2)14(18)9-12/h3-9,19H,10H2,1-2H3
InChIKeyYSTFCRQYDNHGGX-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

2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65146874
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine
CID 62621995
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 65144733
1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol
CID 104793004
1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 114833348
1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
CID 62608783
1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833364
1-(4-chlorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 60798764
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61082269
1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 113490170

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol (CID 114833315) is 2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol is COc1ccc(C(C)(O)Cc2cccc(F)c2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol?
The InChIKey is YSTFCRQYDNHGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-16(19,10-11-4-3-5-13(17)8-11)12-6-7-15(20-2)14(18)9-12/h3-9,19H,10H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol?
2-(3-fluoro-4-methoxyphenyl)-1-(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 2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 114833315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).