(6,7-dichloro-2-methyl-3H-1-benzofuran-2-yl)methanol

C10H10Cl2O2 — CID 129284086

IUPAC(6,7-dichloro-2-methyl-3H-1-benzofuran-2-yl)methanol
SMILESCC1(CO)Cc2ccc(Cl)c(Cl)c2O1
InChIInChI=1S/C10H10Cl2O2/c1-10(5-13)4-6-2-3-7(11)8(12)9(6)14-10/h2-3,13H,4-5H2,1H3
InChIKeyFUUXSXWMAJCVOM-UHFFFAOYSA-N
MW233.09 g/mol
LogP2.68
Rot. Bonds1

About (6,7-dichloro-2-methyl-3H-1-benzofuran-2-yl)methanol

(6,7-dichloro-2-methyl-3H-1-benzofuran-2-yl)methanol (PubChem CID 129284086) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is (6,7-dichloro-2-methyl-3H-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(6,7-dichloro-2-methyl-3H-1-benzofuran-2-yl)methanol
PubChem CID129284086
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name(6,7-dichloro-2-methyl-3H-1-benzofuran-2-yl)methanol
SMILESCC1(CO)Cc2ccc(Cl)c(Cl)c2O1
InChIInChI=1S/C10H10Cl2O2/c1-10(5-13)4-6-2-3-7(11)8(12)9(6)14-10/h2-3,13H,4-5H2,1H3
InChIKeyFUUXSXWMAJCVOM-UHFFFAOYSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6,7-dichloro-2-methyl-3H-1-benzofuran-2-yl)methanol?
The IUPAC name of (6,7-dichloro-2-methyl-3H-1-benzofuran-2-yl)methanol (CID 129284086) is (6,7-dichloro-2-methyl-3H-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (6,7-dichloro-2-methyl-3H-1-benzofuran-2-yl)methanol?
The canonical SMILES for (6,7-dichloro-2-methyl-3H-1-benzofuran-2-yl)methanol is CC1(CO)Cc2ccc(Cl)c(Cl)c2O1.
What is the InChIKey of (6,7-dichloro-2-methyl-3H-1-benzofuran-2-yl)methanol?
The InChIKey is FUUXSXWMAJCVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-10(5-13)4-6-2-3-7(11)8(12)9(6)14-10/h2-3,13H,4-5H2,1H3.
What are the key properties of (6,7-dichloro-2-methyl-3H-1-benzofuran-2-yl)methanol?
(6,7-dichloro-2-methyl-3H-1-benzofuran-2-yl)methanol has a molecular weight of 233.09 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dichloro-2-methyl-3H-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 129284086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).