(2-ethyl-6-phenylphenyl)-(2,4,6-trimethylphenyl)methanone;hydroxy(oxo)phosphanium

C24H26O3P+ — CID 160871505

IUPAC(2-ethyl-6-phenylphenyl)-(2,4,6-trimethylphenyl)methanone;hydroxy(oxo)phosphanium
SMILESCCc1cccc(-c2ccccc2)c1C(=O)c1c(C)cc(C)cc1C.O=[PH+]O
InChIInChI=1S/C24H24O.HO2P/c1-5-19-12-9-13-21(20-10-7-6-8-11-20)23(19)24(25)22-17(3)14-16(2)15-18(22)4;1-3-2/h6-15H,5H2,1-4H3;3H/p+1
InChIKeyMYLJSLUMMGULSD-UHFFFAOYSA-O
MW393.44 g/mol
LogP5.99
Rot. Bonds4

About (2-ethyl-6-phenylphenyl)-(2,4,6-trimethylphenyl)methanone;hydroxy(oxo)phosphanium

(2-ethyl-6-phenylphenyl)-(2,4,6-trimethylphenyl)methanone;hydroxy(oxo)phosphanium (PubChem CID 160871505) has the molecular formula C24H26O3P+ and a molecular weight of 393.44 g/mol. Its IUPAC name is (2-ethyl-6-phenylphenyl)-(2,4,6-trimethylphenyl)methanone;hydroxy(oxo)phosphanium.

Molecular Properties

Compound Name(2-ethyl-6-phenylphenyl)-(2,4,6-trimethylphenyl)methanone;hydroxy(oxo)phosphanium
PubChem CID160871505
Molecular FormulaC24H26O3P+
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name(2-ethyl-6-phenylphenyl)-(2,4,6-trimethylphenyl)methanone;hydroxy(oxo)phosphanium
SMILESCCc1cccc(-c2ccccc2)c1C(=O)c1c(C)cc(C)cc1C.O=[PH+]O
InChIInChI=1S/C24H24O.HO2P/c1-5-19-12-9-13-21(20-10-7-6-8-11-20)23(19)24(25)22-17(3)14-16(2)15-18(22)4;1-3-2/h6-15H,5H2,1-4H3;3H/p+1
InChIKeyMYLJSLUMMGULSD-UHFFFAOYSA-O
XLogP5.99
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-6-phenylphenyl)-(2,4,6-trimethylphenyl)methanone;hydroxy(oxo)phosphanium?
The IUPAC name of (2-ethyl-6-phenylphenyl)-(2,4,6-trimethylphenyl)methanone;hydroxy(oxo)phosphanium (CID 160871505) is (2-ethyl-6-phenylphenyl)-(2,4,6-trimethylphenyl)methanone;hydroxy(oxo)phosphanium.
What is the SMILES notation for (2-ethyl-6-phenylphenyl)-(2,4,6-trimethylphenyl)methanone;hydroxy(oxo)phosphanium?
The canonical SMILES for (2-ethyl-6-phenylphenyl)-(2,4,6-trimethylphenyl)methanone;hydroxy(oxo)phosphanium is CCc1cccc(-c2ccccc2)c1C(=O)c1c(C)cc(C)cc1C.O=[PH+]O.
What is the InChIKey of (2-ethyl-6-phenylphenyl)-(2,4,6-trimethylphenyl)methanone;hydroxy(oxo)phosphanium?
The InChIKey is MYLJSLUMMGULSD-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24O.HO2P/c1-5-19-12-9-13-21(20-10-7-6-8-11-20)23(19)24(25)22-17(3)14-16(2)15-18(22)4;1-3-2/h6-15H,5H2,1-4H3;3H/p+1.
What are the key properties of (2-ethyl-6-phenylphenyl)-(2,4,6-trimethylphenyl)methanone;hydroxy(oxo)phosphanium?
(2-ethyl-6-phenylphenyl)-(2,4,6-trimethylphenyl)methanone;hydroxy(oxo)phosphanium has a molecular weight of 393.44 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6-phenylphenyl)-(2,4,6-trimethylphenyl)methanone;hydroxy(oxo)phosphanium is sourced from PubChem (CID 160871505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).