methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate

C12H12O5 — CID 142736946

IUPACmethyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate
SMILESCOC(=O)[C@H]1CC(=O)c2ccc(OC)cc2O1
InChIInChI=1S/C12H12O5/c1-15-7-3-4-8-9(13)6-11(12(14)16-2)17-10(8)5-7/h3-5,11H,6H2,1-2H3/t11-/m1/s1
InChIKeyWDZKQPQPFYCABA-LLVKDONJSA-N
MW236.22 g/mol
LogP1.20
Rot. Bonds2

About methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate

methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate (PubChem CID 142736946) has the molecular formula C12H12O5 and a molecular weight of 236.22 g/mol. Its IUPAC name is methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate
PubChem CID142736946
Molecular FormulaC12H12O5
Molecular Weight236.22 g/mol
Exact Mass236.07
IUPAC Namemethyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate
SMILESCOC(=O)[C@H]1CC(=O)c2ccc(OC)cc2O1
InChIInChI=1S/C12H12O5/c1-15-7-3-4-8-9(13)6-11(12(14)16-2)17-10(8)5-7/h3-5,11H,6H2,1-2H3/t11-/m1/s1
InChIKeyWDZKQPQPFYCABA-LLVKDONJSA-N
XLogP1.20
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-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

methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 10703555
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
2-butan-2-yl-7-methoxy-2,3-dihydrochromen-4-one
CID 23465807
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
ethyl 2-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)acetate
CID 101494376
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549
2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 73299305
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 16655803
6-methoxy-1-benzofuran-3-one
CID 585368
7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one
CID 114672486
tert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate
CID 121301333

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate?
The IUPAC name of methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate (CID 142736946) is methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate.
What is the SMILES notation for methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate?
The canonical SMILES for methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate is COC(=O)[C@H]1CC(=O)c2ccc(OC)cc2O1.
What is the InChIKey of methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate?
The InChIKey is WDZKQPQPFYCABA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12O5/c1-15-7-3-4-8-9(13)6-11(12(14)16-2)17-10(8)5-7/h3-5,11H,6H2,1-2H3/t11-/m1/s1.
What are the key properties of methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate?
methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate has a molecular weight of 236.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate is sourced from PubChem (CID 142736946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).