methyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate

C18H14O7 — CID 59775759

IUPACmethyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate
SMILESCOC(=O)C(=O)c1ccc(Oc2ccc(C(=O)C(=O)OC)cc2)cc1
InChIInChI=1S/C18H14O7/c1-23-17(21)15(19)11-3-7-13(8-4-11)25-14-9-5-12(6-10-14)16(20)18(22)24-2/h3-10H,1-2H3
InChIKeyAZLBYHLMMDTLGD-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.19
Rot. Bonds6

About methyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate

methyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate (PubChem CID 59775759) has the molecular formula C18H14O7 and a molecular weight of 342.30 g/mol. Its IUPAC name is methyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate
PubChem CID59775759
Molecular FormulaC18H14O7
Molecular Weight342.30 g/mol
Exact Mass342.07
IUPAC Namemethyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate
SMILESCOC(=O)C(=O)c1ccc(Oc2ccc(C(=O)C(=O)OC)cc2)cc1
InChIInChI=1S/C18H14O7/c1-23-17(21)15(19)11-3-7-13(8-4-11)25-14-9-5-12(6-10-14)16(20)18(22)24-2/h3-10H,1-2H3
InChIKeyAZLBYHLMMDTLGD-UHFFFAOYSA-N
XLogP2.19
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate
CID 125477773
methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate
CID 54129750
methyl 2-[4-[[4-(2-methoxy-2-oxoacetyl)phenyl]methyl]phenyl]-2-oxoacetate
CID 59775753
methyl 2-oxo-2-phenylacetate;nitroxyl
CID 172720309
methyl 2-[4-(methoxymethyl)phenyl]-2-oxoacetate
CID 91655841
methyl 2-(4-methylsulfonylphenyl)-2-oxoacetate
CID 116919137
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 2-naphthalen-2-yl-2-oxoacetate
CID 3726008
methyl 2-oxo-2-(4-phenylsulfanylphenyl)acetate
CID 59163554
methyl 2-(4-benzylphenyl)-2-oxoacetate
CID 112616475
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate?
The IUPAC name of methyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate (CID 59775759) is methyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate.
What is the SMILES notation for methyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate?
The canonical SMILES for methyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate is COC(=O)C(=O)c1ccc(Oc2ccc(C(=O)C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate?
The InChIKey is AZLBYHLMMDTLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O7/c1-23-17(21)15(19)11-3-7-13(8-4-11)25-14-9-5-12(6-10-14)16(20)18(22)24-2/h3-10H,1-2H3.
What are the key properties of methyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate?
methyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate has a molecular weight of 342.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate is sourced from PubChem (CID 59775759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).