2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol

C15H13BrClFO2 — CID 114853149

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2cc(Cl)ccc2F)c1
InChIInChI=1S/C15H13BrClFO2/c1-20-11-3-4-13(16)9(6-11)7-15(19)12-8-10(17)2-5-14(12)18/h2-6,8,15,19H,7H2,1H3
InChIKeyYYTAQHMMJCLDPS-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.53
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol

2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol (PubChem CID 114853149) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol
PubChem CID114853149
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2cc(Cl)ccc2F)c1
InChIInChI=1S/C15H13BrClFO2/c1-20-11-3-4-13(16)9(6-11)7-15(19)12-8-10(17)2-5-14(12)18/h2-6,8,15,19H,7H2,1H3
InChIKeyYYTAQHMMJCLDPS-UHFFFAOYSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.62
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 66157869
1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053350
2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)ethanamine
CID 65325566
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
CID 107969674
1-(5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 55151769
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 115862271
1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 115801395
2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine
CID 115862152
2-(2-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150935
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105190420
1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene
CID 79454075

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol (CID 114853149) is 2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol is COc1ccc(Br)c(CC(O)c2cc(Cl)ccc2F)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol?
The InChIKey is YYTAQHMMJCLDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-20-11-3-4-13(16)9(6-11)7-15(19)12-8-10(17)2-5-14(12)18/h2-6,8,15,19H,7H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol?
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol has a molecular weight of 359.62 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 114853149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).