(2,4,6-trimethylbenzoyl)phosphinous acid

C10H13O2P — CID 69266180

IUPAC(2,4,6-trimethylbenzoyl)phosphinous acid
SMILESCc1cc(C)c(C(=O)PO)c(C)c1
InChIInChI=1S/C10H13O2P/c1-6-4-7(2)9(8(3)5-6)10(11)13-12/h4-5,12-13H,1-3H3
InChIKeyWKPPVJHVUSHKQN-UHFFFAOYSA-N
MW196.19 g/mol
LogP2.34
Rot. Bonds2

About (2,4,6-trimethylbenzoyl)phosphinous acid

(2,4,6-trimethylbenzoyl)phosphinous acid (PubChem CID 69266180) has the molecular formula C10H13O2P and a molecular weight of 196.19 g/mol. Its IUPAC name is (2,4,6-trimethylbenzoyl)phosphinous acid.

Molecular Properties

Compound Name(2,4,6-trimethylbenzoyl)phosphinous acid
PubChem CID69266180
Molecular FormulaC10H13O2P
Molecular Weight196.19 g/mol
Exact Mass196.07
IUPAC Name(2,4,6-trimethylbenzoyl)phosphinous acid
SMILESCc1cc(C)c(C(=O)PO)c(C)c1
InChIInChI=1S/C10H13O2P/c1-6-4-7(2)9(8(3)5-6)10(11)13-12/h4-5,12-13H,1-3H3
InChIKeyWKPPVJHVUSHKQN-UHFFFAOYSA-N
XLogP2.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 153324668
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
CID 140911137
CID 140911137
dioxotitanium;phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 175271648
gallium tris(2,4,6-trimethylbenzoate)
CID 22604109
trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium
CID 159688001
[methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 59218785
[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride
CID 175227644
1-(2-hydroxy-4,6-dimethylphenyl)ethanone
CID 139057763
1-(2,4,6-trimethylphenyl)prop-2-yn-1-one
CID 114978604
(2,4,6-trimethylbenzoyl)phosphonoyl-(2,4,6-trimethylphenyl)methanone;yttrium
CID 59950969

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylbenzoyl)phosphinous acid?
The IUPAC name of (2,4,6-trimethylbenzoyl)phosphinous acid (CID 69266180) is (2,4,6-trimethylbenzoyl)phosphinous acid.
What is the SMILES notation for (2,4,6-trimethylbenzoyl)phosphinous acid?
The canonical SMILES for (2,4,6-trimethylbenzoyl)phosphinous acid is Cc1cc(C)c(C(=O)PO)c(C)c1.
What is the InChIKey of (2,4,6-trimethylbenzoyl)phosphinous acid?
The InChIKey is WKPPVJHVUSHKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O2P/c1-6-4-7(2)9(8(3)5-6)10(11)13-12/h4-5,12-13H,1-3H3.
What are the key properties of (2,4,6-trimethylbenzoyl)phosphinous acid?
(2,4,6-trimethylbenzoyl)phosphinous acid has a molecular weight of 196.19 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylbenzoyl)phosphinous acid is sourced from PubChem (CID 69266180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).