(7-bromo-4-methyl-1-benzofuran-5-yl)methanol

C10H9BrO2 — CID 139560747

IUPAC(7-bromo-4-methyl-1-benzofuran-5-yl)methanol
SMILESCc1c(CO)cc(Br)c2occc12
InChIInChI=1S/C10H9BrO2/c1-6-7(5-12)4-9(11)10-8(6)2-3-13-10/h2-4,12H,5H2,1H3
InChIKeyJTOFZPCEIZNBCY-UHFFFAOYSA-N
MW241.08 g/mol
LogP3.00
Rot. Bonds1

About (7-bromo-4-methyl-1-benzofuran-5-yl)methanol

(7-bromo-4-methyl-1-benzofuran-5-yl)methanol (PubChem CID 139560747) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is (7-bromo-4-methyl-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(7-bromo-4-methyl-1-benzofuran-5-yl)methanol
PubChem CID139560747
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name(7-bromo-4-methyl-1-benzofuran-5-yl)methanol
SMILESCc1c(CO)cc(Br)c2occc12
InChIInChI=1S/C10H9BrO2/c1-6-7(5-12)4-9(11)10-8(6)2-3-13-10/h2-4,12H,5H2,1H3
InChIKeyJTOFZPCEIZNBCY-UHFFFAOYSA-N
XLogP3.00
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-bromo-4-methyl-1-benzofuran-5-yl)methanol?
The IUPAC name of (7-bromo-4-methyl-1-benzofuran-5-yl)methanol (CID 139560747) is (7-bromo-4-methyl-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (7-bromo-4-methyl-1-benzofuran-5-yl)methanol?
The canonical SMILES for (7-bromo-4-methyl-1-benzofuran-5-yl)methanol is Cc1c(CO)cc(Br)c2occc12.
What is the InChIKey of (7-bromo-4-methyl-1-benzofuran-5-yl)methanol?
The InChIKey is JTOFZPCEIZNBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c1-6-7(5-12)4-9(11)10-8(6)2-3-13-10/h2-4,12H,5H2,1H3.
What are the key properties of (7-bromo-4-methyl-1-benzofuran-5-yl)methanol?
(7-bromo-4-methyl-1-benzofuran-5-yl)methanol has a molecular weight of 241.08 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-4-methyl-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 139560747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).