(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl) formate

C9H8O5 — CID 174415590

IUPAC(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl) formate
SMILESO=COc1ccc2c(c1)C(O)OC2O
InChIInChI=1S/C9H8O5/c10-4-13-5-1-2-6-7(3-5)9(12)14-8(6)11/h1-4,8-9,11-12H
InChIKeyNMEUJUASNFJWMC-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.23
Rot. Bonds2

About (1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl) formate

(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl) formate (PubChem CID 174415590) has the molecular formula C9H8O5 and a molecular weight of 196.16 g/mol. Its IUPAC name is (1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl) formate.

Molecular Properties

Compound Name(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl) formate
PubChem CID174415590
Molecular FormulaC9H8O5
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl) formate
SMILESO=COc1ccc2c(c1)C(O)OC2O
InChIInChI=1S/C9H8O5/c10-4-13-5-1-2-6-7(3-5)9(12)14-8(6)11/h1-4,8-9,11-12H
InChIKeyNMEUJUASNFJWMC-UHFFFAOYSA-N
XLogP0.23
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl) formate?
The IUPAC name of (1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl) formate (CID 174415590) is (1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl) formate.
What is the SMILES notation for (1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl) formate?
The canonical SMILES for (1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl) formate is O=COc1ccc2c(c1)C(O)OC2O.
What is the InChIKey of (1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl) formate?
The InChIKey is NMEUJUASNFJWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O5/c10-4-13-5-1-2-6-7(3-5)9(12)14-8(6)11/h1-4,8-9,11-12H.
What are the key properties of (1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl) formate?
(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl) formate has a molecular weight of 196.16 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl) formate is sourced from PubChem (CID 174415590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).