(5-chloro-4-methoxy-3-methyl-1-benzofuran-2-yl)methanol

C11H11ClO3 — CID 68717159

IUPAC(5-chloro-4-methoxy-3-methyl-1-benzofuran-2-yl)methanol
SMILESCOc1c(Cl)ccc2oc(CO)c(C)c12
InChIInChI=1S/C11H11ClO3/c1-6-9(5-13)15-8-4-3-7(12)11(14-2)10(6)8/h3-4,13H,5H2,1-2H3
InChIKeyUVWIOUOAXFEAQG-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.90
Rot. Bonds2

About (5-chloro-4-methoxy-3-methyl-1-benzofuran-2-yl)methanol

(5-chloro-4-methoxy-3-methyl-1-benzofuran-2-yl)methanol (PubChem CID 68717159) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is (5-chloro-4-methoxy-3-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-chloro-4-methoxy-3-methyl-1-benzofuran-2-yl)methanol
PubChem CID68717159
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name(5-chloro-4-methoxy-3-methyl-1-benzofuran-2-yl)methanol
SMILESCOc1c(Cl)ccc2oc(CO)c(C)c12
InChIInChI=1S/C11H11ClO3/c1-6-9(5-13)15-8-4-3-7(12)11(14-2)10(6)8/h3-4,13H,5H2,1-2H3
InChIKeyUVWIOUOAXFEAQG-UHFFFAOYSA-N
XLogP2.90
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methoxy-3-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (5-chloro-4-methoxy-3-methyl-1-benzofuran-2-yl)methanol (CID 68717159) is (5-chloro-4-methoxy-3-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (5-chloro-4-methoxy-3-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (5-chloro-4-methoxy-3-methyl-1-benzofuran-2-yl)methanol is COc1c(Cl)ccc2oc(CO)c(C)c12.
What is the InChIKey of (5-chloro-4-methoxy-3-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is UVWIOUOAXFEAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c1-6-9(5-13)15-8-4-3-7(12)11(14-2)10(6)8/h3-4,13H,5H2,1-2H3.
What are the key properties of (5-chloro-4-methoxy-3-methyl-1-benzofuran-2-yl)methanol?
(5-chloro-4-methoxy-3-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 226.66 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methoxy-3-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 68717159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).