2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol

C13H12Br2O2S — CID 63893838

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol
SMILESCOc1ccc(CC(O)c2ccc(Br)s2)cc1Br
InChIInChI=1S/C13H12Br2O2S/c1-17-11-3-2-8(6-9(11)14)7-10(16)12-4-5-13(15)18-12/h2-6,10,16H,7H2,1H3
InChIKeyDQODUMWAOUIBHV-UHFFFAOYSA-N
MW392.11 g/mol
LogP4.56
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol

2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol (PubChem CID 63893838) has the molecular formula C13H12Br2O2S and a molecular weight of 392.11 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol
PubChem CID63893838
Molecular FormulaC13H12Br2O2S
Molecular Weight392.11 g/mol
Exact Mass389.89
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol
SMILESCOc1ccc(CC(O)c2ccc(Br)s2)cc1Br
InChIInChI=1S/C13H12Br2O2S/c1-17-11-3-2-8(6-9(11)14)7-10(16)12-4-5-13(15)18-12/h2-6,10,16H,7H2,1H3
InChIKeyDQODUMWAOUIBHV-UHFFFAOYSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.11
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 105222004
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol
CID 115779394
2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115779451
2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66035628
(4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol
CID 105056992
2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115779364
2-(3-bromo-4-methoxyphenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 115817818
2-(3-bromo-4-methoxyphenyl)-1-[4-(dimethylamino)phenyl]ethanol
CID 63895968
1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 61080789
3-(3-bromo-4-methoxyphenyl)-1,1-diethoxypropan-2-ol
CID 79496145

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol (CID 63893838) is 2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol is COc1ccc(CC(O)c2ccc(Br)s2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol?
The InChIKey is DQODUMWAOUIBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2O2S/c1-17-11-3-2-8(6-9(11)14)7-10(16)12-4-5-13(15)18-12/h2-6,10,16H,7H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol?
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol has a molecular weight of 392.11 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol is sourced from PubChem (CID 63893838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).