1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol

C14H12BrClO3 — CID 106859484

IUPAC1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
SMILESOC(Cc1cc(Cl)cc2c1OCC2)c1ccoc1Br
InChIInChI=1S/C14H12BrClO3/c15-14-11(2-4-19-14)12(17)7-9-6-10(16)5-8-1-3-18-13(8)9/h2,4-6,12,17H,1,3,7H2
InChIKeyROGSDHPDMHQIEC-UHFFFAOYSA-N
MW343.60 g/mol
LogP3.91
Rot. Bonds3

About 1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol

1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol (PubChem CID 106859484) has the molecular formula C14H12BrClO3 and a molecular weight of 343.60 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
PubChem CID106859484
Molecular FormulaC14H12BrClO3
Molecular Weight343.60 g/mol
Exact Mass341.97
IUPAC Name1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
SMILESOC(Cc1cc(Cl)cc2c1OCC2)c1ccoc1Br
InChIInChI=1S/C14H12BrClO3/c15-14-11(2-4-19-14)12(17)7-9-6-10(16)5-8-1-3-18-13(8)9/h2,4-6,12,17H,1,3,7H2
InChIKeyROGSDHPDMHQIEC-UHFFFAOYSA-N
XLogP3.91
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.60
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 115830807
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 107947763
1-(2-bromofuran-3-yl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 106851953
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789934
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylsulfanylphenyl)ethanol
CID 115830773
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103217068
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-2-ol
CID 113403524
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol
CID 115830926
1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 105031502
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-propoxybutan-2-ol
CID 105123648
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115830873

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol (CID 106859484) is 1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol is OC(Cc1cc(Cl)cc2c1OCC2)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The InChIKey is ROGSDHPDMHQIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO3/c15-14-11(2-4-19-14)12(17)7-9-6-10(16)5-8-1-3-18-13(8)9/h2,4-6,12,17H,1,3,7H2.
What are the key properties of 1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol?
1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol has a molecular weight of 343.60 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol is sourced from PubChem (CID 106859484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).