1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol

C10H8BrClO2 — CID 65440694

IUPAC1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol
SMILESCC(O)c1cc2cc(Br)cc(Cl)c2o1
InChIInChI=1S/C10H8BrClO2/c1-5(13)9-3-6-2-7(11)4-8(12)10(6)14-9/h2-5,13H,1H3
InChIKeySROPWPCRVQDDDI-UHFFFAOYSA-N
MW275.53 g/mol
LogP3.90
Rot. Bonds1

About 1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol

1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol (PubChem CID 65440694) has the molecular formula C10H8BrClO2 and a molecular weight of 275.53 g/mol. Its IUPAC name is 1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol
PubChem CID65440694
Molecular FormulaC10H8BrClO2
Molecular Weight275.53 g/mol
Exact Mass273.94
IUPAC Name1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol
SMILESCC(O)c1cc2cc(Br)cc(Cl)c2o1
InChIInChI=1S/C10H8BrClO2/c1-5(13)9-3-6-2-7(11)4-8(12)10(6)14-9/h2-5,13H,1H3
InChIKeySROPWPCRVQDDDI-UHFFFAOYSA-N
XLogP3.90
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol?
The IUPAC name of 1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol (CID 65440694) is 1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol is CC(O)c1cc2cc(Br)cc(Cl)c2o1.
What is the InChIKey of 1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol?
The InChIKey is SROPWPCRVQDDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClO2/c1-5(13)9-3-6-2-7(11)4-8(12)10(6)14-9/h2-5,13H,1H3.
What are the key properties of 1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol?
1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol has a molecular weight of 275.53 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 65440694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).