(7-bromo-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol

C11H13BrO2 — CID 118897777

IUPAC(7-bromo-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol
SMILESCC1(C)Cc2c(CO)ccc(Br)c2O1
InChIInChI=1S/C11H13BrO2/c1-11(2)5-8-7(6-13)3-4-9(12)10(8)14-11/h3-4,13H,5-6H2,1-2H3
InChIKeyMAPWYWKFJKTRGA-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.65
Rot. Bonds1

About (7-bromo-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol

(7-bromo-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol (PubChem CID 118897777) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is (7-bromo-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol.

Molecular Properties

Compound Name(7-bromo-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol
PubChem CID118897777
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name(7-bromo-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol
SMILESCC1(C)Cc2c(CO)ccc(Br)c2O1
InChIInChI=1S/C11H13BrO2/c1-11(2)5-8-7(6-13)3-4-9(12)10(8)14-11/h3-4,13H,5-6H2,1-2H3
InChIKeyMAPWYWKFJKTRGA-UHFFFAOYSA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-bromo-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol?
The IUPAC name of (7-bromo-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol (CID 118897777) is (7-bromo-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol.
What is the SMILES notation for (7-bromo-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol?
The canonical SMILES for (7-bromo-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol is CC1(C)Cc2c(CO)ccc(Br)c2O1.
What is the InChIKey of (7-bromo-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol?
The InChIKey is MAPWYWKFJKTRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-11(2)5-8-7(6-13)3-4-9(12)10(8)14-11/h3-4,13H,5-6H2,1-2H3.
What are the key properties of (7-bromo-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol?
(7-bromo-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol has a molecular weight of 257.13 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol is sourced from PubChem (CID 118897777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).