[2-(2-formylbenzoyl)phenyl] 2-methylpropanoate

C18H16O4 — CID 123767326

IUPAC[2-(2-formylbenzoyl)phenyl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1ccccc1C(=O)c1ccccc1C=O
InChIInChI=1S/C18H16O4/c1-12(2)18(21)22-16-10-6-5-9-15(16)17(20)14-8-4-3-7-13(14)11-19/h3-12H,1-2H3
InChIKeyHLGFVMMRRGIMQG-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.29
Rot. Bonds5

About [2-(2-formylbenzoyl)phenyl] 2-methylpropanoate

[2-(2-formylbenzoyl)phenyl] 2-methylpropanoate (PubChem CID 123767326) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is [2-(2-formylbenzoyl)phenyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-(2-formylbenzoyl)phenyl] 2-methylpropanoate
PubChem CID123767326
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name[2-(2-formylbenzoyl)phenyl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1ccccc1C(=O)c1ccccc1C=O
InChIInChI=1S/C18H16O4/c1-12(2)18(21)22-16-10-6-5-9-15(16)17(20)14-8-4-3-7-13(14)11-19/h3-12H,1-2H3
InChIKeyHLGFVMMRRGIMQG-UHFFFAOYSA-N
XLogP3.29
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-formylbenzoyl)phenyl] octanoate
CID 123151010
2-(2-methylpropanoyloxy)benzoic acid
CID 54224926
[2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate
CID 123439268
[2-(2-formylbenzoyl)phenyl] N-propylcarbamate
CID 123406138
(2-benzoylphenyl) (2S)-2-aminopropanoate
CID 67465428
(2-formylphenyl) 2-methoxycarbonyloxybenzoate
CID 10402512
[2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate
CID 146420860
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
2-[2-(2-methylpropanoyl)phenyl]benzaldehyde
CID 174491970
2-(3-oxobutan-2-yloxy)benzaldehyde
CID 23468859
(2-acetylphenyl) (2-formylphenyl) carbonate;ethene
CID 142249621
2-formylbenzoic acid;methoxymethane
CID 90858085

Frequently Asked Questions

What is the IUPAC name of [2-(2-formylbenzoyl)phenyl] 2-methylpropanoate?
The IUPAC name of [2-(2-formylbenzoyl)phenyl] 2-methylpropanoate (CID 123767326) is [2-(2-formylbenzoyl)phenyl] 2-methylpropanoate.
What is the SMILES notation for [2-(2-formylbenzoyl)phenyl] 2-methylpropanoate?
The canonical SMILES for [2-(2-formylbenzoyl)phenyl] 2-methylpropanoate is CC(C)C(=O)Oc1ccccc1C(=O)c1ccccc1C=O.
What is the InChIKey of [2-(2-formylbenzoyl)phenyl] 2-methylpropanoate?
The InChIKey is HLGFVMMRRGIMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-12(2)18(21)22-16-10-6-5-9-15(16)17(20)14-8-4-3-7-13(14)11-19/h3-12H,1-2H3.
What are the key properties of [2-(2-formylbenzoyl)phenyl] 2-methylpropanoate?
[2-(2-formylbenzoyl)phenyl] 2-methylpropanoate has a molecular weight of 296.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-formylbenzoyl)phenyl] 2-methylpropanoate is sourced from PubChem (CID 123767326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).