[2-[4-[4-(2-formyloxyacetyl)phenyl]phenyl]-2-oxoethyl] formate

C18H14O6 — CID 134570990

IUPAC[2-[4-[4-(2-formyloxyacetyl)phenyl]phenyl]-2-oxoethyl] formate
SMILESO=COCC(=O)c1ccc(-c2ccc(C(=O)COC=O)cc2)cc1
InChIInChI=1S/C18H14O6/c19-11-23-9-17(21)15-5-1-13(2-6-15)14-3-7-16(8-4-14)18(22)10-24-12-20/h1-8,11-12H,9-10H2
InChIKeyTZNWBFKOZZTGER-UHFFFAOYSA-N
MW326.30 g/mol
LogP2.07
Rot. Bonds9

About [2-[4-[4-(2-formyloxyacetyl)phenyl]phenyl]-2-oxoethyl] formate

[2-[4-[4-(2-formyloxyacetyl)phenyl]phenyl]-2-oxoethyl] formate (PubChem CID 134570990) has the molecular formula C18H14O6 and a molecular weight of 326.30 g/mol. Its IUPAC name is [2-[4-[4-(2-formyloxyacetyl)phenyl]phenyl]-2-oxoethyl] formate.

Molecular Properties

Compound Name[2-[4-[4-(2-formyloxyacetyl)phenyl]phenyl]-2-oxoethyl] formate
PubChem CID134570990
Molecular FormulaC18H14O6
Molecular Weight326.30 g/mol
Exact Mass326.08
IUPAC Name[2-[4-[4-(2-formyloxyacetyl)phenyl]phenyl]-2-oxoethyl] formate
SMILESO=COCC(=O)c1ccc(-c2ccc(C(=O)COC=O)cc2)cc1
InChIInChI=1S/C18H14O6/c19-11-23-9-17(21)15-5-1-13(2-6-15)14-3-7-16(8-4-14)18(22)10-24-12-20/h1-8,11-12H,9-10H2
InChIKeyTZNWBFKOZZTGER-UHFFFAOYSA-N
XLogP2.07
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;[2-(4-methylphenyl)-2-oxoethyl] formate;nitrobenzene
CID 162150277
2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 82053413
1-[4-(4-fluorophenyl)phenyl]-2-methoxyethanone
CID 146011430
[2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate
CID 2505227
2-azabicyclo[3.1.0]hexane;[2-(4-bromophenyl)-2-oxoethyl] formate;ethane
CID 144563337
2-but-3-enoxy-1-(4-methylphenyl)ethanone
CID 62029141
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate
CID 7704319
dimethyl(phenacyloxymethylidene)azanium
CID 24795646
1-(4-bromophenyl)-2-prop-2-enoxyethanone
CID 62030798
4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde
CID 23408905
1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone
CID 4309178
[2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium
CID 3251030

Frequently Asked Questions

What is the IUPAC name of [2-[4-[4-(2-formyloxyacetyl)phenyl]phenyl]-2-oxoethyl] formate?
The IUPAC name of [2-[4-[4-(2-formyloxyacetyl)phenyl]phenyl]-2-oxoethyl] formate (CID 134570990) is [2-[4-[4-(2-formyloxyacetyl)phenyl]phenyl]-2-oxoethyl] formate.
What is the SMILES notation for [2-[4-[4-(2-formyloxyacetyl)phenyl]phenyl]-2-oxoethyl] formate?
The canonical SMILES for [2-[4-[4-(2-formyloxyacetyl)phenyl]phenyl]-2-oxoethyl] formate is O=COCC(=O)c1ccc(-c2ccc(C(=O)COC=O)cc2)cc1.
What is the InChIKey of [2-[4-[4-(2-formyloxyacetyl)phenyl]phenyl]-2-oxoethyl] formate?
The InChIKey is TZNWBFKOZZTGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O6/c19-11-23-9-17(21)15-5-1-13(2-6-15)14-3-7-16(8-4-14)18(22)10-24-12-20/h1-8,11-12H,9-10H2.
What are the key properties of [2-[4-[4-(2-formyloxyacetyl)phenyl]phenyl]-2-oxoethyl] formate?
[2-[4-[4-(2-formyloxyacetyl)phenyl]phenyl]-2-oxoethyl] formate has a molecular weight of 326.30 g/mol, XLogP of 2.07, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[4-(2-formyloxyacetyl)phenyl]phenyl]-2-oxoethyl] formate is sourced from PubChem (CID 134570990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).