(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanol

C10H11ClO3 — CID 71164677

IUPAC(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanol
SMILESCOc1ccc2c(c1Cl)OCC2CO
InChIInChI=1S/C10H11ClO3/c1-13-8-3-2-7-6(4-12)5-14-10(7)9(8)11/h2-3,6,12H,4-5H2,1H3
InChIKeyLTJMRDCHRXJUFR-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.82
Rot. Bonds2

About (7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanol

(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanol (PubChem CID 71164677) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is (7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanol.

Molecular Properties

Compound Name(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanol
PubChem CID71164677
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanol
SMILESCOc1ccc2c(c1Cl)OCC2CO
InChIInChI=1S/C10H11ClO3/c1-13-8-3-2-7-6(4-12)5-14-10(7)9(8)11/h2-3,6,12H,4-5H2,1H3
InChIKeyLTJMRDCHRXJUFR-UHFFFAOYSA-N
XLogP1.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanol?
The IUPAC name of (7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanol (CID 71164677) is (7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanol.
What is the SMILES notation for (7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanol?
The canonical SMILES for (7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanol is COc1ccc2c(c1Cl)OCC2CO.
What is the InChIKey of (7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanol?
The InChIKey is LTJMRDCHRXJUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-13-8-3-2-7-6(4-12)5-14-10(7)9(8)11/h2-3,6,12H,4-5H2,1H3.
What are the key properties of (7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanol?
(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanol has a molecular weight of 214.65 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanol is sourced from PubChem (CID 71164677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).