methyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate

C15H14O4 — CID 21387630

IUPACmethyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)c2cc(C)cc(C)c2)o1
InChIInChI=1S/C15H14O4/c1-9-6-10(2)8-11(7-9)14(16)12-4-5-13(19-12)15(17)18-3/h4-8H,1-3H3
InChIKeyUOSVTJLBJISGMB-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.91
Rot. Bonds3

About methyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate

methyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate (PubChem CID 21387630) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is methyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate
PubChem CID21387630
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Namemethyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)c2cc(C)cc(C)c2)o1
InChIInChI=1S/C15H14O4/c1-9-6-10(2)8-11(7-9)14(16)12-4-5-13(19-12)15(17)18-3/h4-8H,1-3H3
InChIKeyUOSVTJLBJISGMB-UHFFFAOYSA-N
XLogP2.91
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
methyl 5-(quinoline-6-carbonyl)furan-2-carboxylate
CID 106946573
(3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone
CID 81323383
bis(3,5-dimethylphenyl)methanone
CID 15640171
(3-chloro-5-methylphenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461681
methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate
CID 106946619
methyl 5-[1-(2,6-dibromo-4-methylanilino)ethyl]furan-2-carboxylate
CID 103236832
methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 7695683
methyl 3-[2-(3-methoxycarbonyl-5-methylphenyl)ethyl]-5-methylbenzoate
CID 118119638
(5-methoxycarbonylfuran-2-yl)methanetriolate
CID 59286378
methyl 6-methyl-1-oxoisochromene-3-carboxylate
CID 165441452

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate (CID 21387630) is methyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate is COC(=O)c1ccc(C(=O)c2cc(C)cc(C)c2)o1.
What is the InChIKey of methyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate?
The InChIKey is UOSVTJLBJISGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-9-6-10(2)8-11(7-9)14(16)12-4-5-13(19-12)15(17)18-3/h4-8H,1-3H3.
What are the key properties of methyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate?
methyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate has a molecular weight of 258.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate is sourced from PubChem (CID 21387630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).