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

C16H17FO3 — CID 62622685

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C16H17FO3/c1-19-13-6-4-12(5-7-13)15(18)10-11-3-8-16(20-2)14(17)9-11/h3-9,15,18H,10H2,1-2H3
InChIKeyDJGHGNKLUPADMD-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.12
Rot. Bonds5

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

2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol (PubChem CID 62622685) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
PubChem CID62622685
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C16H17FO3/c1-19-13-6-4-12(5-7-13)15(18)10-11-3-8-16(20-2)14(17)9-11/h3-9,15,18H,10H2,1-2H3
InChIKeyDJGHGNKLUPADMD-UHFFFAOYSA-N
XLogP3.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 79973379
1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084452
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61082269
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101112
ethyl 4-(3-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-methylbutanoate
CID 67000053
1-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43503631
1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 107947341
1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782163
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 79086997
1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 115582214
2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol
CID 115782342

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol (CID 62622685) is 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)Cc2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol?
The InChIKey is DJGHGNKLUPADMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-19-13-6-4-12(5-7-13)15(18)10-11-3-8-16(20-2)14(17)9-11/h3-9,15,18H,10H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol?
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol has a molecular weight of 276.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 62622685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).