methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate

C16H14O4 — CID 125477773

IUPACmethyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate
SMILESCOC(=O)C(=O)c1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H14O4/c1-19-14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(17)16(18)20-2/h3-10H,1-2H3
InChIKeyKXMXASUROAVESP-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.72
Rot. Bonds4

About methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate

methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate (PubChem CID 125477773) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate
PubChem CID125477773
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Namemethyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate
SMILESCOC(=O)C(=O)c1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H14O4/c1-19-14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(17)16(18)20-2/h3-10H,1-2H3
InChIKeyKXMXASUROAVESP-UHFFFAOYSA-N
XLogP2.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate
CID 54129750
methyl 2-[4-[4-(2-methoxy-2-oxoacetyl)phenoxy]phenyl]-2-oxoacetate
CID 59775759
methyl 2-[4-[[4-(2-methoxy-2-oxoacetyl)phenyl]methyl]phenyl]-2-oxoacetate
CID 59775753
2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 82053413
S-methyl 2-(4-methoxyphenyl)-2-oxoethanethioate
CID 12957088
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
methyl 2-oxo-2-phenylacetate;nitroxyl
CID 172720309
(4-methylsulfonylphenyl) 2-(4-methoxyphenyl)-2-oxoacetate
CID 58981556
methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate
CID 82543564
1-(4-methoxyphenyl)-2-methylbuta-2,3-dien-1-one
CID 101128425
methyl 2-[4-(methoxymethyl)phenyl]-2-oxoacetate
CID 91655841

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate?
The IUPAC name of methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate (CID 125477773) is methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate.
What is the SMILES notation for methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate?
The canonical SMILES for methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate is COC(=O)C(=O)c1ccc(-c2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate?
The InChIKey is KXMXASUROAVESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(17)16(18)20-2/h3-10H,1-2H3.
What are the key properties of methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate?
methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate has a molecular weight of 270.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate is sourced from PubChem (CID 125477773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).