dioxotitanium;phosphanyl-(2,4,6-trimethylphenyl)methanone

C10H13O3PTi — CID 175271648

IUPACdioxotitanium;phosphanyl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P)c(C)c1.O=[Ti]=O
InChIInChI=1S/C10H13OP.2O.Ti/c1-6-4-7(2)9(10(11)12)8(3)5-6;;;/h4-5H,12H2,1-3H3;;;
InChIKeyNKTIHIGFWLGKFE-UHFFFAOYSA-N
MW260.05 g/mol
LogP2.39
Rot. Bonds1

About dioxotitanium;phosphanyl-(2,4,6-trimethylphenyl)methanone

dioxotitanium;phosphanyl-(2,4,6-trimethylphenyl)methanone (PubChem CID 175271648) has the molecular formula C10H13O3PTi and a molecular weight of 260.05 g/mol. Its IUPAC name is dioxotitanium;phosphanyl-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Namedioxotitanium;phosphanyl-(2,4,6-trimethylphenyl)methanone
PubChem CID175271648
Molecular FormulaC10H13O3PTi
Molecular Weight260.05 g/mol
Exact Mass260.01
IUPAC Namedioxotitanium;phosphanyl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P)c(C)c1.O=[Ti]=O
InChIInChI=1S/C10H13OP.2O.Ti/c1-6-4-7(2)9(10(11)12)8(3)5-6;;;/h4-5H,12H2,1-3H3;;;
InChIKeyNKTIHIGFWLGKFE-UHFFFAOYSA-N
XLogP2.39
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.05
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4,6-trimethylbenzoyl)phosphinous acid
CID 69266180
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
CID 140911137
CID 140911137
gallium tris(2,4,6-trimethylbenzoate)
CID 22604109
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
[methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 59218785
trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium
CID 159688001
CID 174550209
CID 174550209
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 dioxotitanium;phosphanyl-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of dioxotitanium;phosphanyl-(2,4,6-trimethylphenyl)methanone (CID 175271648) is dioxotitanium;phosphanyl-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for dioxotitanium;phosphanyl-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for dioxotitanium;phosphanyl-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)P)c(C)c1.O=[Ti]=O.
What is the InChIKey of dioxotitanium;phosphanyl-(2,4,6-trimethylphenyl)methanone?
The InChIKey is NKTIHIGFWLGKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13OP.2O.Ti/c1-6-4-7(2)9(10(11)12)8(3)5-6;;;/h4-5H,12H2,1-3H3;;;.
What are the key properties of dioxotitanium;phosphanyl-(2,4,6-trimethylphenyl)methanone?
dioxotitanium;phosphanyl-(2,4,6-trimethylphenyl)methanone has a molecular weight of 260.05 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxotitanium;phosphanyl-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 175271648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).