1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol

C17H15BrO2 — CID 105078052

IUPAC1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H15BrO2/c1-11-5-2-3-6-12(11)9-15(19)16-10-13-7-4-8-14(18)17(13)20-16/h2-8,10,15,19H,9H2,1H3
InChIKeyGFOKTJRMFUNPBM-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.78
Rot. Bonds3

About 1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol

1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol (PubChem CID 105078052) has the molecular formula C17H15BrO2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
PubChem CID105078052
Molecular FormulaC17H15BrO2
Molecular Weight331.21 g/mol
Exact Mass330.03
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H15BrO2/c1-11-5-2-3-6-12(11)9-15(19)16-10-13-7-4-8-14(18)17(13)20-16/h2-8,10,15,19H,9H2,1H3
InChIKeyGFOKTJRMFUNPBM-UHFFFAOYSA-N
XLogP4.78
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 105079611
1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol
CID 105083427
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
1-(7-bromo-1-benzofuran-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 105124079
1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)ethanol
CID 105126626
1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 105100365
1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 105115438
1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol
CID 105122499
1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115837599
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894433
1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol
CID 105098554
(7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 105093821

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol (CID 105078052) is 1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol is Cc1ccccc1CC(O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol?
The InChIKey is GFOKTJRMFUNPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO2/c1-11-5-2-3-6-12(11)9-15(19)16-10-13-7-4-8-14(18)17(13)20-16/h2-8,10,15,19H,9H2,1H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol?
1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol has a molecular weight of 331.21 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol is sourced from PubChem (CID 105078052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).