2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol

C16H16F2O3 — CID 115832675

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cc(C(O)Cc2cccc(OC)c2F)ccc1F
InChIInChI=1S/C16H16F2O3/c1-20-14-5-3-4-11(16(14)18)8-13(19)10-6-7-12(17)15(9-10)21-2/h3-7,9,13,19H,8H2,1-2H3
InChIKeyBEZPJXOCMBKAIV-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.26
Rot. Bonds5

About 2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol

2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol (PubChem CID 115832675) has the molecular formula C16H16F2O3 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
PubChem CID115832675
Molecular FormulaC16H16F2O3
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cc(C(O)Cc2cccc(OC)c2F)ccc1F
InChIInChI=1S/C16H16F2O3/c1-20-14-5-3-4-11(16(14)18)8-13(19)10-6-7-12(17)15(9-10)21-2/h3-7,9,13,19H,8H2,1-2H3
InChIKeyBEZPJXOCMBKAIV-UHFFFAOYSA-N
XLogP3.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 104793076
2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 115828418
1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 106695530
1-(3,4-difluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 61089068
2-(2-fluoro-3-methoxyphenyl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 104793170
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832717
2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 102867481
1-(4-chloro-2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832813
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
CID 104793572
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832698
2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62607764
1-(4-fluoro-3-methoxyphenyl)nonan-1-ol
CID 115783950

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol (CID 115832675) is 2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol is COc1cc(C(O)Cc2cccc(OC)c2F)ccc1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol?
The InChIKey is BEZPJXOCMBKAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O3/c1-20-14-5-3-4-11(16(14)18)8-13(19)10-6-7-12(17)15(9-10)21-2/h3-7,9,13,19H,8H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol?
2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol has a molecular weight of 294.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol is sourced from PubChem (CID 115832675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).