(5-chloro-1-benzofuran-3-yl)methanol

C9H7ClO2 — CID 3757833

IUPAC(5-chloro-1-benzofuran-3-yl)methanol
SMILESOCc1coc2ccc(Cl)cc12
InChIInChI=1S/C9H7ClO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,11H,4H2
InChIKeySUSFDNODTSHTOM-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.58
Rot. Bonds1

About (5-chloro-1-benzofuran-3-yl)methanol

(5-chloro-1-benzofuran-3-yl)methanol (PubChem CID 3757833) has the molecular formula C9H7ClO2 and a molecular weight of 182.61 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-3-yl)methanol.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-3-yl)methanol
PubChem CID3757833
Molecular FormulaC9H7ClO2
Molecular Weight182.61 g/mol
Exact Mass182.01
IUPAC Name(5-chloro-1-benzofuran-3-yl)methanol
SMILESOCc1coc2ccc(Cl)cc12
InChIInChI=1S/C9H7ClO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,11H,4H2
InChIKeySUSFDNODTSHTOM-UHFFFAOYSA-N
XLogP2.58
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-3-yl)methanol?
The IUPAC name of (5-chloro-1-benzofuran-3-yl)methanol (CID 3757833) is (5-chloro-1-benzofuran-3-yl)methanol.
What is the SMILES notation for (5-chloro-1-benzofuran-3-yl)methanol?
The canonical SMILES for (5-chloro-1-benzofuran-3-yl)methanol is OCc1coc2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-1-benzofuran-3-yl)methanol?
The InChIKey is SUSFDNODTSHTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,11H,4H2.
What are the key properties of (5-chloro-1-benzofuran-3-yl)methanol?
(5-chloro-1-benzofuran-3-yl)methanol has a molecular weight of 182.61 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-3-yl)methanol is sourced from PubChem (CID 3757833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).