2-[2-(furan-3-yl)-6-methyl-4-oxochromen-8-yl]acetic acid

C16H12O5 — CID 819447

IUPAC2-[2-(furan-3-yl)-6-methyl-4-oxochromen-8-yl]acetic acid
SMILESCc1cc(CC(=O)O)c2oc(-c3ccoc3)cc(=O)c2c1
InChIInChI=1S/C16H12O5/c1-9-4-11(6-15(18)19)16-12(5-9)13(17)7-14(21-16)10-2-3-20-8-10/h2-5,7-8H,6H2,1H3,(H,18,19)
InChIKeyMNVYUEDZETZIJA-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.99
Rot. Bonds3

About 2-[2-(furan-3-yl)-6-methyl-4-oxochromen-8-yl]acetic acid

2-[2-(furan-3-yl)-6-methyl-4-oxochromen-8-yl]acetic acid (PubChem CID 819447) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[2-(furan-3-yl)-6-methyl-4-oxochromen-8-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(furan-3-yl)-6-methyl-4-oxochromen-8-yl]acetic acid
PubChem CID819447
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name2-[2-(furan-3-yl)-6-methyl-4-oxochromen-8-yl]acetic acid
SMILESCc1cc(CC(=O)O)c2oc(-c3ccoc3)cc(=O)c2c1
InChIInChI=1S/C16H12O5/c1-9-4-11(6-15(18)19)16-12(5-9)13(17)7-14(21-16)10-2-3-20-8-10/h2-5,7-8H,6H2,1H3,(H,18,19)
InChIKeyMNVYUEDZETZIJA-UHFFFAOYSA-N
XLogP2.99
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(furan-3-yl)-6-methyl-4-oxochromen-8-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bergapten
CID 2355
Isopsoralen
CID 10658
Isoimperatorin
CID 68081
Flavone-8-Acetic Acid
CID 55748
Isobergapten
CID 68082
Bergamottin
CID 5471349
Bergaptol
CID 5280371
Visnagin
CID 6716
Coumafuryl
CID 54689800
Isoxepac
CID 41448
6',7'-Dihydroxybergamottin
CID 6440498
4-Methylumbelliferone 8-carbaldehyde
CID 12934390

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-3-yl)-6-methyl-4-oxochromen-8-yl]acetic acid?
The IUPAC name of 2-[2-(furan-3-yl)-6-methyl-4-oxochromen-8-yl]acetic acid (CID 819447) is 2-[2-(furan-3-yl)-6-methyl-4-oxochromen-8-yl]acetic acid.
What is the SMILES notation for 2-[2-(furan-3-yl)-6-methyl-4-oxochromen-8-yl]acetic acid?
The canonical SMILES for 2-[2-(furan-3-yl)-6-methyl-4-oxochromen-8-yl]acetic acid is Cc1cc(CC(=O)O)c2oc(-c3ccoc3)cc(=O)c2c1.
What is the InChIKey of 2-[2-(furan-3-yl)-6-methyl-4-oxochromen-8-yl]acetic acid?
The InChIKey is MNVYUEDZETZIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-9-4-11(6-15(18)19)16-12(5-9)13(17)7-14(21-16)10-2-3-20-8-10/h2-5,7-8H,6H2,1H3,(H,18,19).
What are the key properties of 2-[2-(furan-3-yl)-6-methyl-4-oxochromen-8-yl]acetic acid?
2-[2-(furan-3-yl)-6-methyl-4-oxochromen-8-yl]acetic acid has a molecular weight of 284.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-3-yl)-6-methyl-4-oxochromen-8-yl]acetic acid is sourced from PubChem (CID 819447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).