3,4-dihydrochromene-2,2,3-triol

C9H10O4 — CID 54263704

IUPAC3,4-dihydrochromene-2,2,3-triol
SMILESOC1Cc2ccccc2OC1(O)O
InChIInChI=1S/C9H10O4/c10-8-5-6-3-1-2-4-7(6)13-9(8,11)12/h1-4,8,10-12H,5H2
InChIKeyRFGXDGUTSMKCOS-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.38
Rot. Bonds

About 3,4-dihydrochromene-2,2,3-triol

3,4-dihydrochromene-2,2,3-triol (PubChem CID 54263704) has the molecular formula C9H10O4 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3,4-dihydrochromene-2,2,3-triol.

Molecular Properties

Compound Name3,4-dihydrochromene-2,2,3-triol
PubChem CID54263704
Molecular FormulaC9H10O4
Molecular Weight182.18 g/mol
Exact Mass182.06
IUPAC Name3,4-dihydrochromene-2,2,3-triol
SMILESOC1Cc2ccccc2OC1(O)O
InChIInChI=1S/C9H10O4/c10-8-5-6-3-1-2-4-7(6)13-9(8,11)12/h1-4,8,10-12H,5H2
InChIKeyRFGXDGUTSMKCOS-UHFFFAOYSA-N
XLogP-0.38
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydrochromene-2,2,3-triol?
The IUPAC name of 3,4-dihydrochromene-2,2,3-triol (CID 54263704) is 3,4-dihydrochromene-2,2,3-triol.
What is the SMILES notation for 3,4-dihydrochromene-2,2,3-triol?
The canonical SMILES for 3,4-dihydrochromene-2,2,3-triol is OC1Cc2ccccc2OC1(O)O.
What is the InChIKey of 3,4-dihydrochromene-2,2,3-triol?
The InChIKey is RFGXDGUTSMKCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c10-8-5-6-3-1-2-4-7(6)13-9(8,11)12/h1-4,8,10-12H,5H2.
What are the key properties of 3,4-dihydrochromene-2,2,3-triol?
3,4-dihydrochromene-2,2,3-triol has a molecular weight of 182.18 g/mol, XLogP of -0.38, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydrochromene-2,2,3-triol is sourced from PubChem (CID 54263704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).