(2,4-dimethylbenzoyl)-oxophosphanium

C9H10O2P+ — CID 151738944

IUPAC(2,4-dimethylbenzoyl)-oxophosphanium
SMILESCc1ccc(C(=O)[PH+]=O)c(C)c1
InChIInChI=1S/C9H9O2P/c1-6-3-4-8(7(2)5-6)9(10)12-11/h3-5H,1-2H3/p+1
InChIKeyRMCRIWOWWSIDGB-UHFFFAOYSA-O
MW181.15 g/mol
LogP2.47
Rot. Bonds2

About (2,4-dimethylbenzoyl)-oxophosphanium

(2,4-dimethylbenzoyl)-oxophosphanium (PubChem CID 151738944) has the molecular formula C9H10O2P+ and a molecular weight of 181.15 g/mol. Its IUPAC name is (2,4-dimethylbenzoyl)-oxophosphanium.

Molecular Properties

Compound Name(2,4-dimethylbenzoyl)-oxophosphanium
PubChem CID151738944
Molecular FormulaC9H10O2P+
Molecular Weight181.15 g/mol
Exact Mass181.04
IUPAC Name(2,4-dimethylbenzoyl)-oxophosphanium
SMILESCc1ccc(C(=O)[PH+]=O)c(C)c1
InChIInChI=1S/C9H9O2P/c1-6-3-4-8(7(2)5-6)9(10)12-11/h3-5H,1-2H3/p+1
InChIKeyRMCRIWOWWSIDGB-UHFFFAOYSA-O
XLogP2.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
(2,4-dimethylphenyl)-(2,3,4-trimethylphenyl)methanone
CID 70628642
(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
(2,4-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338550
(2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927682
(2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883185
(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43337891
1-(2,4-dimethylphenyl)butane-1,3-dione
CID 19917258
2-[1-(2,4-dimethylphenyl)ethylidene]propanedioic acid
CID 90311592
1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one
CID 11194655
dimethyl 2-[2-(2,4-dimethylphenyl)-2-oxoethylidene]propanedioate
CID 802091

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylbenzoyl)-oxophosphanium?
The IUPAC name of (2,4-dimethylbenzoyl)-oxophosphanium (CID 151738944) is (2,4-dimethylbenzoyl)-oxophosphanium.
What is the SMILES notation for (2,4-dimethylbenzoyl)-oxophosphanium?
The canonical SMILES for (2,4-dimethylbenzoyl)-oxophosphanium is Cc1ccc(C(=O)[PH+]=O)c(C)c1.
What is the InChIKey of (2,4-dimethylbenzoyl)-oxophosphanium?
The InChIKey is RMCRIWOWWSIDGB-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9O2P/c1-6-3-4-8(7(2)5-6)9(10)12-11/h3-5H,1-2H3/p+1.
What are the key properties of (2,4-dimethylbenzoyl)-oxophosphanium?
(2,4-dimethylbenzoyl)-oxophosphanium has a molecular weight of 181.15 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylbenzoyl)-oxophosphanium is sourced from PubChem (CID 151738944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).