2-(4-bromophenoxy)-1-(5-chlorofuran-2-yl)ethanol

C12H10BrClO3 — CID 117240190

IUPAC2-(4-bromophenoxy)-1-(5-chlorofuran-2-yl)ethanol
SMILESOC(COc1ccc(Br)cc1)c1ccc(Cl)o1
InChIInChI=1S/C12H10BrClO3/c13-8-1-3-9(4-2-8)16-7-10(15)11-5-6-12(14)17-11/h1-6,10,15H,7H2
InChIKeyVWZAPTKZAUKHAT-UHFFFAOYSA-N
MW317.57 g/mol
LogP3.81
Rot. Bonds4

About 2-(4-bromophenoxy)-1-(5-chlorofuran-2-yl)ethanol

2-(4-bromophenoxy)-1-(5-chlorofuran-2-yl)ethanol (PubChem CID 117240190) has the molecular formula C12H10BrClO3 and a molecular weight of 317.57 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(5-chlorofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(5-chlorofuran-2-yl)ethanol
PubChem CID117240190
Molecular FormulaC12H10BrClO3
Molecular Weight317.57 g/mol
Exact Mass315.95
IUPAC Name2-(4-bromophenoxy)-1-(5-chlorofuran-2-yl)ethanol
SMILESOC(COc1ccc(Br)cc1)c1ccc(Cl)o1
InChIInChI=1S/C12H10BrClO3/c13-8-1-3-9(4-2-8)16-7-10(15)11-5-6-12(14)17-11/h1-6,10,15H,7H2
InChIKeyVWZAPTKZAUKHAT-UHFFFAOYSA-N
XLogP3.81
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorofuran-2-yl)-2-pyridin-3-yloxyethanol
CID 117240237
(1R)-2-amino-1-(5-chlorofuran-2-yl)ethanol
CID 96633937
1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol
CID 117240158
2-(2-bromophenyl)-1-(5-chlorofuran-2-yl)ethanol
CID 106693547
2-[bromo-(4-ethoxyphenyl)methyl]-5-chlorofuran
CID 106689052
2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran
CID 106689046
1-(4-bromophenoxy)-4-methoxybutan-2-ol
CID 117236778
1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol
CID 106693662
(2S)-1-(4-bromophenoxy)-3-[(2-methyloxiran-2-yl)methoxy]propan-2-ol
CID 166487178
1-bromo-2-[4-(2-bromo-2-hydroxyethoxy)phenoxy]ethanol
CID 70118989
2-[[(2S)-3-(4-bromophenoxy)-2-hydroxypropoxy]methyl]prop-2-en-1-ol
CID 166487020
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(5-chlorofuran-2-yl)ethanol?
The IUPAC name of 2-(4-bromophenoxy)-1-(5-chlorofuran-2-yl)ethanol (CID 117240190) is 2-(4-bromophenoxy)-1-(5-chlorofuran-2-yl)ethanol.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(5-chlorofuran-2-yl)ethanol?
The canonical SMILES for 2-(4-bromophenoxy)-1-(5-chlorofuran-2-yl)ethanol is OC(COc1ccc(Br)cc1)c1ccc(Cl)o1.
What is the InChIKey of 2-(4-bromophenoxy)-1-(5-chlorofuran-2-yl)ethanol?
The InChIKey is VWZAPTKZAUKHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClO3/c13-8-1-3-9(4-2-8)16-7-10(15)11-5-6-12(14)17-11/h1-6,10,15H,7H2.
What are the key properties of 2-(4-bromophenoxy)-1-(5-chlorofuran-2-yl)ethanol?
2-(4-bromophenoxy)-1-(5-chlorofuran-2-yl)ethanol has a molecular weight of 317.57 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-(5-chlorofuran-2-yl)ethanol is sourced from PubChem (CID 117240190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).