methyl 4-oxo-2,3-dihydrochromene-8-carboxylate

C11H10O4 — CID 122362508

IUPACmethyl 4-oxo-2,3-dihydrochromene-8-carboxylate
SMILESCOC(=O)c1cccc2c1OCCC2=O
InChIInChI=1S/C11H10O4/c1-14-11(13)8-4-2-3-7-9(12)5-6-15-10(7)8/h2-4H,5-6H2,1H3
InChIKeyAUPXCMMROYOPBY-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.44
Rot. Bonds1

About methyl 4-oxo-2,3-dihydrochromene-8-carboxylate

methyl 4-oxo-2,3-dihydrochromene-8-carboxylate (PubChem CID 122362508) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 4-oxo-2,3-dihydrochromene-8-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-2,3-dihydrochromene-8-carboxylate
PubChem CID122362508
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Namemethyl 4-oxo-2,3-dihydrochromene-8-carboxylate
SMILESCOC(=O)c1cccc2c1OCCC2=O
InChIInChI=1S/C11H10O4/c1-14-11(13)8-4-2-3-7-9(12)5-6-15-10(7)8/h2-4H,5-6H2,1H3
InChIKeyAUPXCMMROYOPBY-UHFFFAOYSA-N
XLogP1.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,2-dimethyl-4-oxo-3H-chromene-8-carboxylate
CID 137332825
methyl 2,3-dihydro-1-benzofuran-4-carboxylate
CID 130045390
methyl 4-oxo-2,3-dihydrochromene-7-carboxylate
CID 11769654
methyl 2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylate
CID 130120340
2-[(4-oxo-2,3-dihydrochromen-8-yl)oxy]acetic acid
CID 18471063
dimethyl 3,12-dioxo-2,13-dioxabicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxylate
CID 139628561
methyl 2-[(Z)-(2-oxooxolan-3-ylidene)methyl]benzoate
CID 11481668
methyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate
CID 175856803
1,3-dioxolan-2-one;methyl 2-hydroxybenzoate
CID 158443718
8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one
CID 143663627
methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate
CID 59153391
methyl 2-amino-3-(2-amino-3-methoxycarbonylphenyl)benzoate
CID 167435975

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-2,3-dihydrochromene-8-carboxylate?
The IUPAC name of methyl 4-oxo-2,3-dihydrochromene-8-carboxylate (CID 122362508) is methyl 4-oxo-2,3-dihydrochromene-8-carboxylate.
What is the SMILES notation for methyl 4-oxo-2,3-dihydrochromene-8-carboxylate?
The canonical SMILES for methyl 4-oxo-2,3-dihydrochromene-8-carboxylate is COC(=O)c1cccc2c1OCCC2=O.
What is the InChIKey of methyl 4-oxo-2,3-dihydrochromene-8-carboxylate?
The InChIKey is AUPXCMMROYOPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-14-11(13)8-4-2-3-7-9(12)5-6-15-10(7)8/h2-4H,5-6H2,1H3.
What are the key properties of methyl 4-oxo-2,3-dihydrochromene-8-carboxylate?
methyl 4-oxo-2,3-dihydrochromene-8-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-2,3-dihydrochromene-8-carboxylate is sourced from PubChem (CID 122362508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).