3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol

C10H12O3 — CID 89014966

IUPAC3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol
SMILESOCCC1COc2cc(O)ccc21
InChIInChI=1S/C10H12O3/c11-4-3-7-6-13-10-5-8(12)1-2-9(7)10/h1-2,5,7,11-12H,3-4,6H2
InChIKeyKVGUUMAQEVNSLR-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.25
Rot. Bonds2

About 3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol

3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 89014966) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID89014966
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol
SMILESOCCC1COc2cc(O)ccc21
InChIInChI=1S/C10H12O3/c11-4-3-7-6-13-10-5-8(12)1-2-9(7)10/h1-2,5,7,11-12H,3-4,6H2
InChIKeyKVGUUMAQEVNSLR-UHFFFAOYSA-N
XLogP1.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol (CID 89014966) is 3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol is OCCC1COc2cc(O)ccc21.
What is the InChIKey of 3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is KVGUUMAQEVNSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-4-3-7-6-13-10-5-8(12)1-2-9(7)10/h1-2,5,7,11-12H,3-4,6H2.
What are the key properties of 3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol?
3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 180.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 89014966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).