methyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-furo[2,3-b]chromene-3-carboxylate

C16H16O8 — CID 163016926

IUPACmethyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-furo[2,3-b]chromene-3-carboxylate
SMILESCOC(=O)C1(O)c2c(oc3cc(C)cc(O)c3c2=O)OC1CCO
InChIInChI=1S/C16H16O8/c1-7-5-8(18)11-9(6-7)23-14-12(13(11)19)16(21,15(20)22-2)10(24-14)3-4-17/h5-6,10,17-18,21H,3-4H2,1-2H3
InChIKeyNOVKWPGSOIBVFB-UHFFFAOYSA-N
MW336.30 g/mol
LogP0.31
Rot. Bonds3

About methyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-furo[2,3-b]chromene-3-carboxylate

methyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-furo[2,3-b]chromene-3-carboxylate (PubChem CID 163016926) has the molecular formula C16H16O8 and a molecular weight of 336.30 g/mol. Its IUPAC name is methyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-furo[2,3-b]chromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-furo[2,3-b]chromene-3-carboxylate
PubChem CID163016926
Molecular FormulaC16H16O8
Molecular Weight336.30 g/mol
Exact Mass336.08
IUPAC Namemethyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-furo[2,3-b]chromene-3-carboxylate
SMILESCOC(=O)C1(O)c2c(oc3cc(C)cc(O)c3c2=O)OC1CCO
InChIInChI=1S/C16H16O8/c1-7-5-8(18)11-9(6-7)23-14-12(13(11)19)16(21,15(20)22-2)10(24-14)3-4-17/h5-6,10,17-18,21H,3-4H2,1-2H3
InChIKeyNOVKWPGSOIBVFB-UHFFFAOYSA-N
XLogP0.31
TPSA126.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-furo[2,3-b]chromene-3-carboxylate 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

methyl 1,3,8-trihydroxy-6-methyl-9-oxo-2,3-dihydrocyclopenta[b]chromene-1-carboxylate
CID 162980907
methyl (1R)-3-chloro-1,8-dihydroxy-6-methyl-9-oxocyclopenta[b]chromene-1-carboxylate
CID 156580749
methyl (1R,2R)-1,2,8-trihydroxy-6-(hydroxymethyl)-9-oxo-3,4-dihydro-2H-xanthene-1-carboxylate
CID 53468883
methyl 8-hydroxy-3-methoxy-6-methyl-9-oxoxanthene-1-carboxylate
CID 101122392
methyl (1S,2S,3R)-2,3,8-trihydroxy-6-methyl-9-oxo-1,2,3,4-tetrahydroxanthene-1-carboxylate
CID 163033248
methyl 2,3,8-trihydroxy-6-methyl-9-oxo-1,2,3,4-tetrahydroxanthene-1-carboxylate
CID 163033247
3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one
CID 91664847
8-hydroxy-3-methoxy-6-methyl-9-oxoxanthene-1-carboxylic acid
CID 45359350
1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
CID 10966363
methyl (1R,2R)-2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2-dihydroxanthene-1-carboxylate
CID 5472392
2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one
CID 59679761
1,9-dihydroxy-10-methoxy-3-methylbenzo[c][1]benzoxepine-6,11-dione
CID 139587486

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-furo[2,3-b]chromene-3-carboxylate?
The IUPAC name of methyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-furo[2,3-b]chromene-3-carboxylate (CID 163016926) is methyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-furo[2,3-b]chromene-3-carboxylate.
What is the SMILES notation for methyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-furo[2,3-b]chromene-3-carboxylate?
The canonical SMILES for methyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-furo[2,3-b]chromene-3-carboxylate is COC(=O)C1(O)c2c(oc3cc(C)cc(O)c3c2=O)OC1CCO.
What is the InChIKey of methyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-furo[2,3-b]chromene-3-carboxylate?
The InChIKey is NOVKWPGSOIBVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O8/c1-7-5-8(18)11-9(6-7)23-14-12(13(11)19)16(21,15(20)22-2)10(24-14)3-4-17/h5-6,10,17-18,21H,3-4H2,1-2H3.
What are the key properties of methyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-furo[2,3-b]chromene-3-carboxylate?
methyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-furo[2,3-b]chromene-3-carboxylate has a molecular weight of 336.30 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-furo[2,3-b]chromene-3-carboxylate is sourced from PubChem (CID 163016926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).