6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol

C13H13ClN2O3 — CID 55177806

IUPAC6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
SMILESCn1c(Cl)cnc1COc1ccc2c(c1)OCC2O
InChIInChI=1S/C13H13ClN2O3/c1-16-12(14)5-15-13(16)7-18-8-2-3-9-10(17)6-19-11(9)4-8/h2-5,10,17H,6-7H2,1H3
InChIKeyOWIMXWROBDYHCT-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.08
Rot. Bonds3

About 6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol

6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 55177806) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
PubChem CID55177806
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
SMILESCn1c(Cl)cnc1COc1ccc2c(c1)OCC2O
InChIInChI=1S/C13H13ClN2O3/c1-16-12(14)5-15-13(16)7-18-8-2-3-9-10(17)6-19-11(9)4-8/h2-5,10,17H,6-7H2,1H3
InChIKeyOWIMXWROBDYHCT-UHFFFAOYSA-N
XLogP2.08
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol (CID 55177806) is 6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol is Cn1c(Cl)cnc1COc1ccc2c(c1)OCC2O.
What is the InChIKey of 6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is OWIMXWROBDYHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-16-12(14)5-15-13(16)7-18-8-2-3-9-10(17)6-19-11(9)4-8/h2-5,10,17H,6-7H2,1H3.
What are the key properties of 6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol?
6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 280.71 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 55177806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).