methyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate

C23H20O6 — CID 46600954

IUPACmethyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1oc(COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc1C
InChIInChI=1S/C23H20O6/c1-14-8-10-16(11-9-14)20(24)18-6-4-5-7-19(18)22(25)28-13-17-12-15(2)21(29-17)23(26)27-3/h4-12H,13H2,1-3H3
InChIKeyRPKDOCZVRKZMAB-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.27
Rot. Bonds6

About methyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate

methyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate (PubChem CID 46600954) has the molecular formula C23H20O6 and a molecular weight of 392.41 g/mol. Its IUPAC name is methyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate
PubChem CID46600954
Molecular FormulaC23H20O6
Molecular Weight392.41 g/mol
Exact Mass392.13
IUPAC Namemethyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1oc(COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc1C
InChIInChI=1S/C23H20O6/c1-14-8-10-16(11-9-14)20(24)18-6-4-5-7-19(18)22(25)28-13-17-12-15(2)21(29-17)23(26)27-3/h4-12H,13H2,1-3H3
InChIKeyRPKDOCZVRKZMAB-UHFFFAOYSA-N
XLogP4.27
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate with MolForge

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Related Compounds

(2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
CID 7718093
methyl 3-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate
CID 18122257
(4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
CID 7718092
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-methylbenzoyl)benzoate
CID 46528753
(5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46481076
(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate
CID 2370634
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2353601
(5-methoxycarbonyl-4-methylfuran-2-yl)methyl 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate
CID 46601078
(2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate
CID 7891565
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605484
(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate
CID 18098467
[6-(benzoyloxymethyl)-4-oxopyran-2-yl]methyl 4-methylbenzoate
CID 176655522

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate (CID 46600954) is methyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate is COC(=O)c1oc(COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc1C.
What is the InChIKey of methyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate?
The InChIKey is RPKDOCZVRKZMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O6/c1-14-8-10-16(11-9-14)20(24)18-6-4-5-7-19(18)22(25)28-13-17-12-15(2)21(29-17)23(26)27-3/h4-12H,13H2,1-3H3.
What are the key properties of methyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate?
methyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate has a molecular weight of 392.41 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 46600954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).