2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol

C17H18BrNO2 — CID 107502934

IUPAC2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
SMILESCc1cc(C(O)Cc2cc(Br)cc3c2OCC3)cc(C)n1
InChIInChI=1S/C17H18BrNO2/c1-10-5-13(6-11(2)19-10)16(20)9-14-8-15(18)7-12-3-4-21-17(12)14/h5-8,16,20H,3-4,9H2,1-2H3
InChIKeyFMQPZENTXMZXQL-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.67
Rot. Bonds3

About 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol (PubChem CID 107502934) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
PubChem CID107502934
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
SMILESCc1cc(C(O)Cc2cc(Br)cc3c2OCC3)cc(C)n1
InChIInChI=1S/C17H18BrNO2/c1-10-5-13(6-11(2)19-10)16(20)9-14-8-15(18)7-12-3-4-21-17(12)14/h5-8,16,20H,3-4,9H2,1-2H3
InChIKeyFMQPZENTXMZXQL-UHFFFAOYSA-N
XLogP3.67
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol with MolForge

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Related Compounds

1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 107947763
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol
CID 115830952
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115830873
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-(2,5-dibromophenyl)ethanol
CID 115830926
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408228
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-ethylpentane-2,3-diol
CID 103449362
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194509
ethyl 3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxypropanoate
CID 113403461
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine
CID 105219279
1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102829850
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol
CID 107954109

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol?
The IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol (CID 107502934) is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol?
The canonical SMILES for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol is Cc1cc(C(O)Cc2cc(Br)cc3c2OCC3)cc(C)n1.
What is the InChIKey of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol?
The InChIKey is FMQPZENTXMZXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-10-5-13(6-11(2)19-10)16(20)9-14-8-15(18)7-12-3-4-21-17(12)14/h5-8,16,20H,3-4,9H2,1-2H3.
What are the key properties of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol?
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol has a molecular weight of 348.24 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol is sourced from PubChem (CID 107502934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).