oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone

C22H21O2P — CID 174367673

IUPACoxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccccc2-c2ccccc2)c(C)c1.O=P
InChIInChI=1S/C22H20O.HOP/c1-15-13-16(2)21(17(3)14-15)22(23)20-12-8-7-11-19(20)18-9-5-4-6-10-18;1-2/h4-14H,1-3H3;2H
InChIKeyFZDYHXQJPDSASV-UHFFFAOYSA-N
MW348.38 g/mol
LogP5.98
Rot. Bonds3

About oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone

oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 174367673) has the molecular formula C22H21O2P and a molecular weight of 348.38 g/mol. Its IUPAC name is oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Nameoxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone
PubChem CID174367673
Molecular FormulaC22H21O2P
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Nameoxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccccc2-c2ccccc2)c(C)c1.O=P
InChIInChI=1S/C22H20O.HOP/c1-15-13-16(2)21(17(3)14-15)22(23)20-12-8-7-11-19(20)18-9-5-4-6-10-18;1-2/h4-14H,1-3H3;2H
InChIKeyFZDYHXQJPDSASV-UHFFFAOYSA-N
XLogP5.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.38
LogP ≤ 55.98
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

ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
(2,3-diphenylbenzoyl) 2,4,6-trimethylbenzoate
CID 87698575
(2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone
CID 171716642
sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate
CID 146418297
lithium;hydride;(2-phosphanylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 173243819
(2-ethyl-6-phenylphenyl)-(2,4,6-trimethylphenyl)methanone;hydroxy(oxo)phosphanium
CID 160871505
3-amino-2-(2-phenylbenzoyl)benzoic acid
CID 70111879
[2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
CID 172735368
benzenesulfonyl 2-(2,4,6-trimethylbenzoyl)benzenesulfonate
CID 54016782
[[2,3-bis(2,4,6-trimethylbenzoyl)phenyl]-(2,3,4-trimethyl-5-phenylphenyl)phosphoryl]-phenylmethanone
CID 172706516
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate
CID 7554635

Frequently Asked Questions

What is the IUPAC name of oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone (CID 174367673) is oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2ccccc2-c2ccccc2)c(C)c1.O=P.
What is the InChIKey of oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is FZDYHXQJPDSASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O.HOP/c1-15-13-16(2)21(17(3)14-15)22(23)20-12-8-7-11-19(20)18-9-5-4-6-10-18;1-2/h4-14H,1-3H3;2H.
What are the key properties of oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone?
oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 348.38 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 174367673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).