(5-bromo-1-benzofuran-2-yl)methanol

C9H7BrO2 — CID 2795537

IUPAC(5-bromo-1-benzofuran-2-yl)methanol
SMILESOCc1cc2cc(Br)ccc2o1
InChIInChI=1S/C9H7BrO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,11H,5H2
InChIKeyJYYWIDBNICYLBN-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.69
Rot. Bonds1

About (5-bromo-1-benzofuran-2-yl)methanol

(5-bromo-1-benzofuran-2-yl)methanol (PubChem CID 2795537) has the molecular formula C9H7BrO2 and a molecular weight of 227.06 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)methanol
PubChem CID2795537
Molecular FormulaC9H7BrO2
Molecular Weight227.06 g/mol
Exact Mass225.96
IUPAC Name(5-bromo-1-benzofuran-2-yl)methanol
SMILESOCc1cc2cc(Br)ccc2o1
InChIInChI=1S/C9H7BrO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,11H,5H2
InChIKeyJYYWIDBNICYLBN-UHFFFAOYSA-N
XLogP2.69
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-2-benzofurancarboxylic acid
CID 735247
5-Bromo-7-methoxy-2-benzofurancarboxylic acid
CID 3358971
3-Bromo-1-benzofuran
CID 640589
1-Benzofuran-2-Ylmethanol
CID 2776263
(E)-3-(5-bromo-2-hydroxyphenyl)-1-(furan-2-yl)prop-2-en-1-one
CID 5852959
Ethyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 2388825
5-Bromo-1-benzofuran-2-carbaldehyde
CID 2795535
1-(1-Benzofuran-2-yl)ethan-1-ol
CID 4962333
Benzofuran, 5-bromo-
CID 90015
5-Bromo-2-methyl-1-benzofuran
CID 611410
3,5-Dibromobenzo[b]furan
CID 2795572
Methyl 5-bromo-1-benzofuran-2-carboxylate
CID 620341

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)methanol?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)methanol (CID 2795537) is (5-bromo-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)methanol?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)methanol is OCc1cc2cc(Br)ccc2o1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)methanol?
The InChIKey is JYYWIDBNICYLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,11H,5H2.
What are the key properties of (5-bromo-1-benzofuran-2-yl)methanol?
(5-bromo-1-benzofuran-2-yl)methanol has a molecular weight of 227.06 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 2795537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).