methyl 4-(benzoyloxymethyl)-2-methyl-6-oxopyran-3-carboxylate

C16H14O6 — CID 10566242

IUPACmethyl 4-(benzoyloxymethyl)-2-methyl-6-oxopyran-3-carboxylate
SMILESCOC(=O)c1c(COC(=O)c2ccccc2)cc(=O)oc1C
InChIInChI=1S/C16H14O6/c1-10-14(16(19)20-2)12(8-13(17)22-10)9-21-15(18)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyYVUOXAUVLFVLII-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.09
Rot. Bonds4

About methyl 4-(benzoyloxymethyl)-2-methyl-6-oxopyran-3-carboxylate

methyl 4-(benzoyloxymethyl)-2-methyl-6-oxopyran-3-carboxylate (PubChem CID 10566242) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is methyl 4-(benzoyloxymethyl)-2-methyl-6-oxopyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(benzoyloxymethyl)-2-methyl-6-oxopyran-3-carboxylate
PubChem CID10566242
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Namemethyl 4-(benzoyloxymethyl)-2-methyl-6-oxopyran-3-carboxylate
SMILESCOC(=O)c1c(COC(=O)c2ccccc2)cc(=O)oc1C
InChIInChI=1S/C16H14O6/c1-10-14(16(19)20-2)12(8-13(17)22-10)9-21-15(18)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyYVUOXAUVLFVLII-UHFFFAOYSA-N
XLogP2.09
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-oxobenzo[f]chromen-1-yl)methyl 4-methylbenzoate
CID 2628394
[6-(benzoyloxymethyl)-4-oxopyran-2-yl]methyl 4-methylbenzoate
CID 176655522
(5-acetyl-2-methoxyphenyl)methyl 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 24533805
ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate
CID 46735271
(6,7-dimethyl-2-oxochromen-4-yl)methyl 3-methylbenzoate
CID 7382063
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
(3-oxobenzo[f]chromen-1-yl)methyl 4-acetamidobenzoate
CID 4802726
(3-oxobenzo[f]chromen-1-yl)methyl 4-ethylbenzoate
CID 4985700
azane;(2,3,4-trimethylphenyl)methyl benzoate
CID 67826555
methyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate
CID 110699348
(7-methyl-2-oxochromen-4-yl)methyl 3-acetamidobenzoate
CID 2582002
methyl benzoate;hydrate
CID 141218240

Frequently Asked Questions

What is the IUPAC name of methyl 4-(benzoyloxymethyl)-2-methyl-6-oxopyran-3-carboxylate?
The IUPAC name of methyl 4-(benzoyloxymethyl)-2-methyl-6-oxopyran-3-carboxylate (CID 10566242) is methyl 4-(benzoyloxymethyl)-2-methyl-6-oxopyran-3-carboxylate.
What is the SMILES notation for methyl 4-(benzoyloxymethyl)-2-methyl-6-oxopyran-3-carboxylate?
The canonical SMILES for methyl 4-(benzoyloxymethyl)-2-methyl-6-oxopyran-3-carboxylate is COC(=O)c1c(COC(=O)c2ccccc2)cc(=O)oc1C.
What is the InChIKey of methyl 4-(benzoyloxymethyl)-2-methyl-6-oxopyran-3-carboxylate?
The InChIKey is YVUOXAUVLFVLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-10-14(16(19)20-2)12(8-13(17)22-10)9-21-15(18)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of methyl 4-(benzoyloxymethyl)-2-methyl-6-oxopyran-3-carboxylate?
methyl 4-(benzoyloxymethyl)-2-methyl-6-oxopyran-3-carboxylate has a molecular weight of 302.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(benzoyloxymethyl)-2-methyl-6-oxopyran-3-carboxylate is sourced from PubChem (CID 10566242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).