1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol

C16H16BrFO2 — CID 103396109

IUPAC1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol
SMILESCOc1cc(F)c(Br)cc1C(O)Cc1cccc(C)c1
InChIInChI=1S/C16H16BrFO2/c1-10-4-3-5-11(6-10)7-15(19)12-8-13(17)14(18)9-16(12)20-2/h3-6,8-9,15,19H,7H2,1-2H3
InChIKeySDXNUUQQHFNIJI-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.18
Rot. Bonds4

About 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol

1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol (PubChem CID 103396109) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol
PubChem CID103396109
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol
SMILESCOc1cc(F)c(Br)cc1C(O)Cc1cccc(C)c1
InChIInChI=1S/C16H16BrFO2/c1-10-4-3-5-11(6-10)7-15(19)12-8-13(17)14(18)9-16(12)20-2/h3-6,8-9,15,19H,7H2,1-2H3
InChIKeySDXNUUQQHFNIJI-UHFFFAOYSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol
CID 62389072
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 103395965
1-bromo-5-[1-bromo-2-(3-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103396441
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983417
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 65434304
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
CID 115370074
2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115779483
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 103394564
1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396584
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 63018074

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol (CID 103396109) is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol is COc1cc(F)c(Br)cc1C(O)Cc1cccc(C)c1.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol?
The InChIKey is SDXNUUQQHFNIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-10-4-3-5-11(6-10)7-15(19)12-8-13(17)14(18)9-16(12)20-2/h3-6,8-9,15,19H,7H2,1-2H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol?
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol has a molecular weight of 339.20 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 103396109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).