methyl 4-oxo-2,3-dihydrochromene-7-carboxylate

C11H10O4 — CID 11769654

IUPACmethyl 4-oxo-2,3-dihydrochromene-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)OCCC2=O
InChIInChI=1S/C11H10O4/c1-14-11(13)7-2-3-8-9(12)4-5-15-10(8)6-7/h2-3,6H,4-5H2,1H3
InChIKeyVHVGLYNWKHXGJG-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.44
Rot. Bonds1

About methyl 4-oxo-2,3-dihydrochromene-7-carboxylate

methyl 4-oxo-2,3-dihydrochromene-7-carboxylate (PubChem CID 11769654) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 4-oxo-2,3-dihydrochromene-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-2,3-dihydrochromene-7-carboxylate
PubChem CID11769654
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Namemethyl 4-oxo-2,3-dihydrochromene-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)OCCC2=O
InChIInChI=1S/C11H10O4/c1-14-11(13)7-2-3-8-9(12)4-5-15-10(8)6-7/h2-3,6H,4-5H2,1H3
InChIKeyVHVGLYNWKHXGJG-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

fluoro 4-oxo-2,3-dihydrochromene-7-carboxylate
CID 123445996
(4-oxo-2,3-dihydrochromen-7-yl) acetate
CID 3498336
methyl 2,3-dihydroxy-3-(4-oxo-2,3-dihydrochromen-7-yl)propanoate
CID 171864790
methyl 9-methyl-6,7-dihydrobenzo[d][1]benzoxepine-2-carboxylate
CID 118654720
methyl 1,1,4-trioxo-2,3-dihydrothiochromene-7-carboxylate
CID 19354747
methyl (5S)-5-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxylate
CID 155904773
7-methyl-2,3-dihydrochromen-4-one;hydrochloride
CID 127263931
7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 69455047
methyl 4-hydroxy-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylate
CID 123651404
methyl 4-oxo-2,3-dihydrochromene-8-carboxylate
CID 122362508
methyl 3-(cyclopenten-1-ylmethylidene)-4-oxochromene-7-carboxylate
CID 66722625
7-hydroxysulfanyl-2,3-dihydrochromen-4-one
CID 130120510

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-2,3-dihydrochromene-7-carboxylate?
The IUPAC name of methyl 4-oxo-2,3-dihydrochromene-7-carboxylate (CID 11769654) is methyl 4-oxo-2,3-dihydrochromene-7-carboxylate.
What is the SMILES notation for methyl 4-oxo-2,3-dihydrochromene-7-carboxylate?
The canonical SMILES for methyl 4-oxo-2,3-dihydrochromene-7-carboxylate is COC(=O)c1ccc2c(c1)OCCC2=O.
What is the InChIKey of methyl 4-oxo-2,3-dihydrochromene-7-carboxylate?
The InChIKey is VHVGLYNWKHXGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-14-11(13)7-2-3-8-9(12)4-5-15-10(8)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of methyl 4-oxo-2,3-dihydrochromene-7-carboxylate?
methyl 4-oxo-2,3-dihydrochromene-7-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-7-carboxylate is sourced from PubChem (CID 11769654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).