4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol

C10H11BrO2 — CID 67968906

IUPAC4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol
SMILESCC1(C)Cc2c(Br)ccc(O)c2O1
InChIInChI=1S/C10H11BrO2/c1-10(2)5-6-7(11)3-4-8(12)9(6)13-10/h3-4,12H,5H2,1-2H3
InChIKeyCUKMQQBQOXPLOF-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.87
Rot. Bonds

About 4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol

4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol (PubChem CID 67968906) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol.

Molecular Properties

Compound Name4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol
PubChem CID67968906
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol
SMILESCC1(C)Cc2c(Br)ccc(O)c2O1
InChIInChI=1S/C10H11BrO2/c1-10(2)5-6-7(11)3-4-8(12)9(6)13-10/h3-4,12H,5H2,1-2H3
InChIKeyCUKMQQBQOXPLOF-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol?
The IUPAC name of 4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol (CID 67968906) is 4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol.
What is the SMILES notation for 4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol?
The canonical SMILES for 4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol is CC1(C)Cc2c(Br)ccc(O)c2O1.
What is the InChIKey of 4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol?
The InChIKey is CUKMQQBQOXPLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-10(2)5-6-7(11)3-4-8(12)9(6)13-10/h3-4,12H,5H2,1-2H3.
What are the key properties of 4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol?
4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol has a molecular weight of 243.10 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol is sourced from PubChem (CID 67968906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).