(2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone

C21H19O2P — CID 174396027

IUPAC(2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)c1cc(Oc2ccccc2)ccc1P
InChIInChI=1S/C21H19O2P/c1-14-7-6-8-15(2)20(14)21(22)18-13-17(11-12-19(18)24)23-16-9-4-3-5-10-16/h3-13H,24H2,1-2H3
InChIKeyPNGNANXJAUNWHF-UHFFFAOYSA-N
MW334.36 g/mol
LogP4.83
Rot. Bonds4

About (2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone

(2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone (PubChem CID 174396027) has the molecular formula C21H19O2P and a molecular weight of 334.36 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone
PubChem CID174396027
Molecular FormulaC21H19O2P
Molecular Weight334.36 g/mol
Exact Mass334.11
IUPAC Name(2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)c1cc(Oc2ccccc2)ccc1P
InChIInChI=1S/C21H19O2P/c1-14-7-6-8-15(2)20(14)21(22)18-13-17(11-12-19(18)24)23-16-9-4-3-5-10-16/h3-13H,24H2,1-2H3
InChIKeyPNGNANXJAUNWHF-UHFFFAOYSA-N
XLogP4.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
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 (2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone?
The IUPAC name of (2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone (CID 174396027) is (2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone.
What is the SMILES notation for (2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone?
The canonical SMILES for (2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone is Cc1cccc(C)c1C(=O)c1cc(Oc2ccccc2)ccc1P.
What is the InChIKey of (2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone?
The InChIKey is PNGNANXJAUNWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19O2P/c1-14-7-6-8-15(2)20(14)21(22)18-13-17(11-12-19(18)24)23-16-9-4-3-5-10-16/h3-13H,24H2,1-2H3.
What are the key properties of (2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone?
(2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone has a molecular weight of 334.36 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone is sourced from PubChem (CID 174396027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).