diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone

C41H41O4P — CID 175439396

IUPACdiphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone
SMILESCc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1.O=C(c1ccccc1)c1ccccc1C1(O)CCCCC1
InChIInChI=1S/C22H21O2P.C19H20O2/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20;20-18(15-9-3-1-4-10-15)16-11-5-6-12-17(16)19(21)13-7-2-8-14-19/h4-15H,1-3H3;1,3-6,9-12,21H,2,7-8,13-14H2
InChIKeyWFEUGRXWQHCGEL-UHFFFAOYSA-N
MW628.75 g/mol
LogP8.84
Rot. Bonds7

About diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone

diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone (PubChem CID 175439396) has the molecular formula C41H41O4P and a molecular weight of 628.75 g/mol. Its IUPAC name is diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Namediphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone
PubChem CID175439396
Molecular FormulaC41H41O4P
Molecular Weight628.75 g/mol
Exact Mass628.27
IUPAC Namediphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone
SMILESCc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1.O=C(c1ccccc1)c1ccccc1C1(O)CCCCC1
InChIInChI=1S/C22H21O2P.C19H20O2/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20;20-18(15-9-3-1-4-10-15)16-11-5-6-12-17(16)19(21)13-7-2-8-14-19/h4-15H,1-3H3;1,3-6,9-12,21H,2,7-8,13-14H2
InChIKeyWFEUGRXWQHCGEL-UHFFFAOYSA-N
XLogP8.84
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.75
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone
CID 121433859
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
CID 157152357
CID 157152357
1-[bis(aziridin-1-yl)phosphoryl]aziridine;diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone
CID 22373905
[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 155797932
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
CID 21343895
bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone
CID 162462409
2-(1-hydroxycyclohexyl)benzaldehyde;[3-phosphoroso-2-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
CID 87842199
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone
CID 175015018
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
[2,6-dimethyl-4-(sulfanylmethyl)phenyl]-diphenylphosphorylmethanone
CID 88978120

Frequently Asked Questions

What is the IUPAC name of diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone?
The IUPAC name of diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone (CID 175439396) is diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone.
What is the SMILES notation for diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone?
The canonical SMILES for diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone is Cc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1.O=C(c1ccccc1)c1ccccc1C1(O)CCCCC1.
What is the InChIKey of diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone?
The InChIKey is WFEUGRXWQHCGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21O2P.C19H20O2/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20;20-18(15-9-3-1-4-10-15)16-11-5-6-12-17(16)19(21)13-7-2-8-14-19/h4-15H,1-3H3;1,3-6,9-12,21H,2,7-8,13-14H2.
What are the key properties of diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone?
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone has a molecular weight of 628.75 g/mol, XLogP of 8.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone is sourced from PubChem (CID 175439396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).