[3,5-dihydroxy-2-(4-oxochromen-2-yl)phenyl] ethyl carbonate

C18H14O7 — CID 66650524

IUPAC[3,5-dihydroxy-2-(4-oxochromen-2-yl)phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1cc(O)cc(O)c1-c1cc(=O)c2ccccc2o1
InChIInChI=1S/C18H14O7/c1-2-23-18(22)25-15-8-10(19)7-13(21)17(15)16-9-12(20)11-5-3-4-6-14(11)24-16/h3-9,19,21H,2H2,1H3
InChIKeyIQTRPILICFHKLD-UHFFFAOYSA-N
MW342.30 g/mol
LogP3.41
Rot. Bonds3

About [3,5-dihydroxy-2-(4-oxochromen-2-yl)phenyl] ethyl carbonate

[3,5-dihydroxy-2-(4-oxochromen-2-yl)phenyl] ethyl carbonate (PubChem CID 66650524) has the molecular formula C18H14O7 and a molecular weight of 342.30 g/mol. Its IUPAC name is [3,5-dihydroxy-2-(4-oxochromen-2-yl)phenyl] ethyl carbonate.

Molecular Properties

Compound Name[3,5-dihydroxy-2-(4-oxochromen-2-yl)phenyl] ethyl carbonate
PubChem CID66650524
Molecular FormulaC18H14O7
Molecular Weight342.30 g/mol
Exact Mass342.07
IUPAC Name[3,5-dihydroxy-2-(4-oxochromen-2-yl)phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1cc(O)cc(O)c1-c1cc(=O)c2ccccc2o1
InChIInChI=1S/C18H14O7/c1-2-23-18(22)25-15-8-10(19)7-13(21)17(15)16-9-12(20)11-5-3-4-6-14(11)24-16/h3-9,19,21H,2H2,1H3
InChIKeyIQTRPILICFHKLD-UHFFFAOYSA-N
XLogP3.41
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,5-dihydroxy-2-(4-oxochromen-2-yl)phenyl] ethyl carbonate?
The IUPAC name of [3,5-dihydroxy-2-(4-oxochromen-2-yl)phenyl] ethyl carbonate (CID 66650524) is [3,5-dihydroxy-2-(4-oxochromen-2-yl)phenyl] ethyl carbonate.
What is the SMILES notation for [3,5-dihydroxy-2-(4-oxochromen-2-yl)phenyl] ethyl carbonate?
The canonical SMILES for [3,5-dihydroxy-2-(4-oxochromen-2-yl)phenyl] ethyl carbonate is CCOC(=O)Oc1cc(O)cc(O)c1-c1cc(=O)c2ccccc2o1.
What is the InChIKey of [3,5-dihydroxy-2-(4-oxochromen-2-yl)phenyl] ethyl carbonate?
The InChIKey is IQTRPILICFHKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O7/c1-2-23-18(22)25-15-8-10(19)7-13(21)17(15)16-9-12(20)11-5-3-4-6-14(11)24-16/h3-9,19,21H,2H2,1H3.
What are the key properties of [3,5-dihydroxy-2-(4-oxochromen-2-yl)phenyl] ethyl carbonate?
[3,5-dihydroxy-2-(4-oxochromen-2-yl)phenyl] ethyl carbonate has a molecular weight of 342.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dihydroxy-2-(4-oxochromen-2-yl)phenyl] ethyl carbonate is sourced from PubChem (CID 66650524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).