2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid

C13H8O5 — CID 86137784

IUPAC2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid
SMILESO=C(O)Cc1cc2cc3ccoc3cc2oc1=O
InChIInChI=1S/C13H8O5/c14-12(15)5-9-4-8-3-7-1-2-17-10(7)6-11(8)18-13(9)16/h1-4,6H,5H2,(H,14,15)
InChIKeyGPNGXRUBQWULRU-UHFFFAOYSA-N
MW244.20 g/mol
LogP2.17
Rot. Bonds2

About 2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid

2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid (PubChem CID 86137784) has the molecular formula C13H8O5 and a molecular weight of 244.20 g/mol. Its IUPAC name is 2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid.

Molecular Properties

Compound Name2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid
PubChem CID86137784
Molecular FormulaC13H8O5
Molecular Weight244.20 g/mol
Exact Mass244.04
IUPAC Name2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid
SMILESO=C(O)Cc1cc2cc3ccoc3cc2oc1=O
InChIInChI=1S/C13H8O5/c14-12(15)5-9-4-8-3-7-1-2-17-10(7)6-11(8)18-13(9)16/h1-4,6H,5H2,(H,14,15)
InChIKeyGPNGXRUBQWULRU-UHFFFAOYSA-N
XLogP2.17
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(7-hydroxy-2-oxochromen-3-yl)acetic acid
CID 22167456
2-(2-oxochromen-3-yl)acetyl bromide
CID 166175025
3-(7-hydroxy-2-oxochromen-3-yl)propanoic acid
CID 18961636
6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene
CID 145018031
6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one
CID 54222373
acetic acid;3-(hydroxymethyl)chromen-2-one
CID 174966490
2-furo[2,3-f][1]benzofuran-4-ylacetic acid
CID 115010286
5-ethyl-6-methyl-1-benzofuran
CID 143804380
methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate
CID 15391031
1-[(7-oxofuro[3,2-g]chromen-5-yl)methyl]cyclobutane-1-carboxylic acid
CID 149359660
2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid
CID 157262863
6-hydroxy-1-benzofuran-5-carboxylic acid
CID 83681607

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid?
The IUPAC name of 2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid (CID 86137784) is 2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid.
What is the SMILES notation for 2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid?
The canonical SMILES for 2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid is O=C(O)Cc1cc2cc3ccoc3cc2oc1=O.
What is the InChIKey of 2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid?
The InChIKey is GPNGXRUBQWULRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O5/c14-12(15)5-9-4-8-3-7-1-2-17-10(7)6-11(8)18-13(9)16/h1-4,6H,5H2,(H,14,15).
What are the key properties of 2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid?
2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid has a molecular weight of 244.20 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid is sourced from PubChem (CID 86137784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).