methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate

C13H14O5 — CID 10922937

IUPACmethyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate
SMILESCOC(=O)CC1COc2c(OC)cccc2C1=O
InChIInChI=1S/C13H14O5/c1-16-10-5-3-4-9-12(15)8(6-11(14)17-2)7-18-13(9)10/h3-5,8H,6-7H2,1-2H3
InChIKeyKNZCNPJFZSOLLX-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.45
Rot. Bonds3

About methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate

methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate (PubChem CID 10922937) has the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate
PubChem CID10922937
Molecular FormulaC13H14O5
Molecular Weight250.25 g/mol
Exact Mass250.08
IUPAC Namemethyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate
SMILESCOC(=O)CC1COc2c(OC)cccc2C1=O
InChIInChI=1S/C13H14O5/c1-16-10-5-3-4-9-12(15)8(6-11(14)17-2)7-18-13(9)10/h3-5,8H,6-7H2,1-2H3
InChIKeyKNZCNPJFZSOLLX-UHFFFAOYSA-N
XLogP1.45
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate 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

3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one
CID 46218586
3,8-dimethoxy-2,3-dihydrochromen-4-one
CID 130039338
methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 91828033
methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate
CID 22435586
9-methoxy-4-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one
CID 82250923
2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129462509
(3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one
CID 134962846
8-methoxy-1,3-benzodioxin-4-one
CID 141355094
N-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 167818858
8-methoxy-3-methylidenechromen-4-one
CID 82277876
benzene-1,3-diol;methyl 2-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 158789867
2-[(3-bromo-4-oxo-2,3-dihydrochromen-8-yl)oxy]acetate
CID 18471049

Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate?
The IUPAC name of methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate (CID 10922937) is methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate.
What is the SMILES notation for methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate?
The canonical SMILES for methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate is COC(=O)CC1COc2c(OC)cccc2C1=O.
What is the InChIKey of methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate?
The InChIKey is KNZCNPJFZSOLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O5/c1-16-10-5-3-4-9-12(15)8(6-11(14)17-2)7-18-13(9)10/h3-5,8H,6-7H2,1-2H3.
What are the key properties of methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate?
methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate has a molecular weight of 250.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate is sourced from PubChem (CID 10922937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).