(2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid

C17H17O5P — CID 87155428

IUPAC(2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid
SMILESCc1ccccc1C(=O)P(=O)(O)OC(=O)c1cccc(C)c1C
InChIInChI=1S/C17H17O5P/c1-11-8-6-10-15(13(11)3)16(18)22-23(20,21)17(19)14-9-5-4-7-12(14)2/h4-10H,1-3H3,(H,20,21)
InChIKeyJDNJFPGMTJWBMC-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.79
Rot. Bonds4

About (2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid

(2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid (PubChem CID 87155428) has the molecular formula C17H17O5P and a molecular weight of 332.29 g/mol. Its IUPAC name is (2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid.

Molecular Properties

Compound Name(2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid
PubChem CID87155428
Molecular FormulaC17H17O5P
Molecular Weight332.29 g/mol
Exact Mass332.08
IUPAC Name(2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid
SMILESCc1ccccc1C(=O)P(=O)(O)OC(=O)c1cccc(C)c1C
InChIInChI=1S/C17H17O5P/c1-11-8-6-10-15(13(11)3)16(18)22-23(20,21)17(19)14-9-5-4-7-12(14)2/h4-10H,1-3H3,(H,20,21)
InChIKeyJDNJFPGMTJWBMC-UHFFFAOYSA-N
XLogP3.79
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phosphono 2-methylbenzoate
CID 66728080
bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone
CID 18353869
fluoro 2,3-dimethylbenzoate
CID 174427719
trimethylsilyl 2,3-dimethylbenzoate
CID 91714654
aminomethyl 2,3-dimethylbenzoate
CID 66871801
disodium;(2-methylphenyl)-phosphonatomethanone
CID 66884074
cyclopentylmethoxy-(2-methylbenzoyl)phosphinic acid
CID 87155396
phosphoric acid;tris(1,2,3-trimethylbenzene)
CID 175926272
(4-phenoxyphenyl) 2,3-dimethylbenzoate
CID 7961917
bis[(2-methylbenzoyl)peroxy]phosphoryl 2-methylbenzenecarboperoxoate
CID 87127144
2,3-dimethylbenzoyl iodide
CID 87941796
[10-(2,3-dimethylbenzoyl)oxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2,3-dimethylbenzoate
CID 166987609

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid?
The IUPAC name of (2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid (CID 87155428) is (2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid.
What is the SMILES notation for (2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid?
The canonical SMILES for (2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid is Cc1ccccc1C(=O)P(=O)(O)OC(=O)c1cccc(C)c1C.
What is the InChIKey of (2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid?
The InChIKey is JDNJFPGMTJWBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17O5P/c1-11-8-6-10-15(13(11)3)16(18)22-23(20,21)17(19)14-9-5-4-7-12(14)2/h4-10H,1-3H3,(H,20,21).
What are the key properties of (2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid?
(2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid has a molecular weight of 332.29 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid is sourced from PubChem (CID 87155428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).