methyl 2-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)benzoate

C15H14O5 — CID 14737844

IUPACmethyl 2-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1c(OC(C)C)c(=O)c1=O
InChIInChI=1S/C15H14O5/c1-8(2)20-14-11(12(16)13(14)17)9-6-4-5-7-10(9)15(18)19-3/h4-8H,1-3H3
InChIKeyYMYPODYKDQGUIT-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.52
Rot. Bonds4

About methyl 2-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)benzoate

methyl 2-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)benzoate (PubChem CID 14737844) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is methyl 2-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)benzoate
PubChem CID14737844
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Namemethyl 2-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1c(OC(C)C)c(=O)c1=O
InChIInChI=1S/C15H14O5/c1-8(2)20-14-11(12(16)13(14)17)9-6-4-5-7-10(9)15(18)19-3/h4-8H,1-3H3
InChIKeyYMYPODYKDQGUIT-UHFFFAOYSA-N
XLogP1.52
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 3-hydroxy-2-propan-2-yloxybenzoate
CID 69409235
dimethyl 9,10-dioxoanthracene-1,4-dicarboxylate
CID 11771669
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 3-cyano-2-propan-2-yloxybenzoate
CID 134655755
methyl 3-acetylazulene-1-carboxylate
CID 11241652
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-tetracen-5-ylbenzoate
CID 86720844
dimethyl 4-hydroxyazulene-1,3-dicarboxylate
CID 10682741
methyl 2-(2-chlorophenyl)benzoate
CID 1393589
3,4-bis(2-methoxycarbonylphenyl)-6-propan-2-ylphthalic acid
CID 54104849
2-(2-methoxycarbonylphenoxy)propanoic acid
CID 117053908
methyl 2-triphenylen-2-ylbenzoate
CID 142724319

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)benzoate?
The IUPAC name of methyl 2-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)benzoate (CID 14737844) is methyl 2-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)benzoate.
What is the SMILES notation for methyl 2-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)benzoate?
The canonical SMILES for methyl 2-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)benzoate is COC(=O)c1ccccc1-c1c(OC(C)C)c(=O)c1=O.
What is the InChIKey of methyl 2-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)benzoate?
The InChIKey is YMYPODYKDQGUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-8(2)20-14-11(12(16)13(14)17)9-6-4-5-7-10(9)15(18)19-3/h4-8H,1-3H3.
What are the key properties of methyl 2-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)benzoate?
methyl 2-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)benzoate has a molecular weight of 274.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)benzoate is sourced from PubChem (CID 14737844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).