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

C16H13BrCl2O2 — CID 115830807

IUPAC1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
SMILESOC(Cc1cc(Cl)cc2c1OCC2)c1cccc(Br)c1Cl
InChIInChI=1S/C16H13BrCl2O2/c17-13-3-1-2-12(15(13)19)14(20)8-10-7-11(18)6-9-4-5-21-16(9)10/h1-3,6-7,14,20H,4-5,8H2
InChIKeyGKEVTUMCMAWYFS-UHFFFAOYSA-N
MW388.09 g/mol
LogP4.97
Rot. Bonds3

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

1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol (PubChem CID 115830807) has the molecular formula C16H13BrCl2O2 and a molecular weight of 388.09 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
PubChem CID115830807
Molecular FormulaC16H13BrCl2O2
Molecular Weight388.09 g/mol
Exact Mass385.95
IUPAC Name1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
SMILESOC(Cc1cc(Cl)cc2c1OCC2)c1cccc(Br)c1Cl
InChIInChI=1S/C16H13BrCl2O2/c17-13-3-1-2-12(15(13)19)14(20)8-10-7-11(18)6-9-4-5-21-16(9)10/h1-3,6-7,14,20H,4-5,8H2
InChIKeyGKEVTUMCMAWYFS-UHFFFAOYSA-N
XLogP4.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.09
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 106859484
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-methylphenyl)ethanol
CID 115830920
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol
CID 107954109
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114886812
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 105031480
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 107947763
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 114885386
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol
CID 115830926
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103217068
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-(2,3-dimethylphenyl)ethanamine
CID 105031528
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol (CID 115830807) is 1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol is OC(Cc1cc(Cl)cc2c1OCC2)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The InChIKey is GKEVTUMCMAWYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2O2/c17-13-3-1-2-12(15(13)19)14(20)8-10-7-11(18)6-9-4-5-21-16(9)10/h1-3,6-7,14,20H,4-5,8H2.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol?
1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol has a molecular weight of 388.09 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol is sourced from PubChem (CID 115830807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).