methyl 7-methoxy-4-oxochromene-2-carboxylate

C12H10O5 — CID 739444

IUPACmethyl 7-methoxy-4-oxochromene-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2ccc(OC)cc2o1
InChIInChI=1S/C12H10O5/c1-15-7-3-4-8-9(13)6-11(12(14)16-2)17-10(8)5-7/h3-6H,1-2H3
InChIKeyCWTIPLWFXBVCSU-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.59
Rot. Bonds2

About methyl 7-methoxy-4-oxochromene-2-carboxylate

methyl 7-methoxy-4-oxochromene-2-carboxylate (PubChem CID 739444) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is methyl 7-methoxy-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-4-oxochromene-2-carboxylate
PubChem CID739444
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Namemethyl 7-methoxy-4-oxochromene-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2ccc(OC)cc2o1
InChIInChI=1S/C12H10O5/c1-15-7-3-4-8-9(13)6-11(12(14)16-2)17-10(8)5-7/h3-6H,1-2H3
InChIKeyCWTIPLWFXBVCSU-UHFFFAOYSA-N
XLogP1.59
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 7-methoxy-4-oxochromene-2-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

7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide
CID 51998193
N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998192
N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998191
7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide
CID 51998176
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide
CID 51998294
2-ethyl-7-methoxychromen-4-one
CID 10013150
methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate
CID 15131055
7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 51998270
7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11676170
N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide
CID 51998327
methyl 6-methoxy-4-methylfuro[3,2-b]indole-2-carboxylate
CID 132587331

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-4-oxochromene-2-carboxylate?
The IUPAC name of methyl 7-methoxy-4-oxochromene-2-carboxylate (CID 739444) is methyl 7-methoxy-4-oxochromene-2-carboxylate.
What is the SMILES notation for methyl 7-methoxy-4-oxochromene-2-carboxylate?
The canonical SMILES for methyl 7-methoxy-4-oxochromene-2-carboxylate is COC(=O)c1cc(=O)c2ccc(OC)cc2o1.
What is the InChIKey of methyl 7-methoxy-4-oxochromene-2-carboxylate?
The InChIKey is CWTIPLWFXBVCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5/c1-15-7-3-4-8-9(13)6-11(12(14)16-2)17-10(8)5-7/h3-6H,1-2H3.
What are the key properties of methyl 7-methoxy-4-oxochromene-2-carboxylate?
methyl 7-methoxy-4-oxochromene-2-carboxylate has a molecular weight of 234.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-4-oxochromene-2-carboxylate is sourced from PubChem (CID 739444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).