1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol

C13H12Br2O3 — CID 106886367

IUPAC1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2occc2Br)c1
InChIInChI=1S/C13H12Br2O3/c1-17-9-2-3-10(14)8(6-9)7-12(16)13-11(15)4-5-18-13/h2-6,12,16H,7H2,1H3
InChIKeySQPUUJJHJDZXIT-UHFFFAOYSA-N
MW376.04 g/mol
LogP4.09
Rot. Bonds4

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

1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol (PubChem CID 106886367) has the molecular formula C13H12Br2O3 and a molecular weight of 376.04 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
PubChem CID106886367
Molecular FormulaC13H12Br2O3
Molecular Weight376.04 g/mol
Exact Mass373.92
IUPAC Name1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2occc2Br)c1
InChIInChI=1S/C13H12Br2O3/c1-17-9-2-3-10(14)8(6-9)7-12(16)13-11(15)4-5-18-13/h2-6,12,16H,7H2,1H3
InChIKeySQPUUJJHJDZXIT-UHFFFAOYSA-N
XLogP4.09
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.04
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol (CID 106886367) is 1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol is COc1ccc(Br)c(CC(O)c2occc2Br)c1.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol?
The InChIKey is SQPUUJJHJDZXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2O3/c1-17-9-2-3-10(14)8(6-9)7-12(16)13-11(15)4-5-18-13/h2-6,12,16H,7H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol?
1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol has a molecular weight of 376.04 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol is sourced from PubChem (CID 106886367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).