2-(2,8-dioxo-4-phenyl-6H-furo[3,4-g]chromen-3-yl)acetic acid

C19H12O6 — CID 22267254

IUPAC2-(2,8-dioxo-4-phenyl-6H-furo[3,4-g]chromen-3-yl)acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2)c2cc3c(cc2oc1=O)C(=O)OC3
InChIInChI=1S/C19H12O6/c20-16(21)8-14-17(10-4-2-1-3-5-10)13-6-11-9-24-18(22)12(11)7-15(13)25-19(14)23/h1-7H,8-9H2,(H,20,21)
InChIKeyANBPSGMUDIRRNF-UHFFFAOYSA-N
MW336.30 g/mol
LogP2.76
Rot. Bonds3

About 2-(2,8-dioxo-4-phenyl-6H-furo[3,4-g]chromen-3-yl)acetic acid

2-(2,8-dioxo-4-phenyl-6H-furo[3,4-g]chromen-3-yl)acetic acid (PubChem CID 22267254) has the molecular formula C19H12O6 and a molecular weight of 336.30 g/mol. Its IUPAC name is 2-(2,8-dioxo-4-phenyl-6H-furo[3,4-g]chromen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2,8-dioxo-4-phenyl-6H-furo[3,4-g]chromen-3-yl)acetic acid
PubChem CID22267254
Molecular FormulaC19H12O6
Molecular Weight336.30 g/mol
Exact Mass336.06
IUPAC Name2-(2,8-dioxo-4-phenyl-6H-furo[3,4-g]chromen-3-yl)acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2)c2cc3c(cc2oc1=O)C(=O)OC3
InChIInChI=1S/C19H12O6/c20-16(21)8-14-17(10-4-2-1-3-5-10)13-6-11-9-24-18(22)12(11)7-15(13)25-19(14)23/h1-7H,8-9H2,(H,20,21)
InChIKeyANBPSGMUDIRRNF-UHFFFAOYSA-N
XLogP2.76
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dioxo-4-phenyl-6H-furo[3,4-g]chromen-3-yl)acetic acid?
The IUPAC name of 2-(2,8-dioxo-4-phenyl-6H-furo[3,4-g]chromen-3-yl)acetic acid (CID 22267254) is 2-(2,8-dioxo-4-phenyl-6H-furo[3,4-g]chromen-3-yl)acetic acid.
What is the SMILES notation for 2-(2,8-dioxo-4-phenyl-6H-furo[3,4-g]chromen-3-yl)acetic acid?
The canonical SMILES for 2-(2,8-dioxo-4-phenyl-6H-furo[3,4-g]chromen-3-yl)acetic acid is O=C(O)Cc1c(-c2ccccc2)c2cc3c(cc2oc1=O)C(=O)OC3.
What is the InChIKey of 2-(2,8-dioxo-4-phenyl-6H-furo[3,4-g]chromen-3-yl)acetic acid?
The InChIKey is ANBPSGMUDIRRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O6/c20-16(21)8-14-17(10-4-2-1-3-5-10)13-6-11-9-24-18(22)12(11)7-15(13)25-19(14)23/h1-7H,8-9H2,(H,20,21).
What are the key properties of 2-(2,8-dioxo-4-phenyl-6H-furo[3,4-g]chromen-3-yl)acetic acid?
2-(2,8-dioxo-4-phenyl-6H-furo[3,4-g]chromen-3-yl)acetic acid has a molecular weight of 336.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-dioxo-4-phenyl-6H-furo[3,4-g]chromen-3-yl)acetic acid is sourced from PubChem (CID 22267254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).