(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol

C9H9BrO2 — CID 66545161

IUPAC(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOCc1cc(Br)c2c(c1)CCO2
InChIInChI=1S/C9H9BrO2/c10-8-4-6(5-11)3-7-1-2-12-9(7)8/h3-4,11H,1-2,5H2
InChIKeyFUUZXKAWKKIDRQ-UHFFFAOYSA-N
MW229.07 g/mol
LogP1.88
Rot. Bonds1

About (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol

(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 66545161) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID66545161
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOCc1cc(Br)c2c(c1)CCO2
InChIInChI=1S/C9H9BrO2/c10-8-4-6(5-11)3-7-1-2-12-9(7)8/h3-4,11H,1-2,5H2
InChIKeyFUUZXKAWKKIDRQ-UHFFFAOYSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
CID 43143963
2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 83901569
7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 83899521
2-amino-1-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 83901568
3-(9-bromo-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)propan-1-amine
CID 82249651
3-amino-1-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 84808835
methyl 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylate
CID 131617097
7-bromo-5-nitro-2,3-dihydro-1-benzofuran
CID 18787034
(7-bromo-2,3-dihydrofuro[3,2-b]pyridin-5-yl)methanol
CID 135256404
3-[(7-bromo-2,3-dihydro-1-benzofuran-5-yl)sulfanyl]propanoic acid
CID 91253018
4-[(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methyl]-2H-phthalazin-1-one
CID 56833203
(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine
CID 168529950

Frequently Asked Questions

What is the IUPAC name of (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol (CID 66545161) is (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol is OCc1cc(Br)c2c(c1)CCO2.
What is the InChIKey of (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is FUUZXKAWKKIDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c10-8-4-6(5-11)3-7-1-2-12-9(7)8/h3-4,11H,1-2,5H2.
What are the key properties of (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol?
(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 229.07 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 66545161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).