[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride

C26H28ClO2P — CID 175227644

IUPAC[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride
SMILESCc1cc(C)c(C(=O)P(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1.Cl
InChIInChI=1S/C26H27O2P.ClH/c1-16-12-18(3)23(19(4)13-16)25(27)29(22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6;/h7-15H,1-6H3;1H
InChIKeyOBKNZCJVWSNFQO-UHFFFAOYSA-N
MW438.94 g/mol
LogP6.75
Rot. Bonds5

About [phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride

[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride (PubChem CID 175227644) has the molecular formula C26H28ClO2P and a molecular weight of 438.94 g/mol. Its IUPAC name is [phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride
PubChem CID175227644
Molecular FormulaC26H28ClO2P
Molecular Weight438.94 g/mol
Exact Mass438.15
IUPAC Name[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride
SMILESCc1cc(C)c(C(=O)P(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1.Cl
InChIInChI=1S/C26H27O2P.ClH/c1-16-12-18(3)23(19(4)13-16)25(27)29(22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6;/h7-15H,1-6H3;1H
InChIKeyOBKNZCJVWSNFQO-UHFFFAOYSA-N
XLogP6.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 56.75
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

diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
CID 161445922
[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone
CID 141016646
[phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 154266689
N-[[3,5-dimethyl-4-[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]carbonylphenyl]methyl]prop-2-enamide
CID 144597455
[ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium
CID 160631618
[methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 59218785
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium
CID 69491265
(2,4,6-trimethylbenzoyl)phosphinous acid
CID 69266180
[[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphanyl]-(2,3,4,5,6-pentamethylphenyl)methanone
CID 141016659
triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
CID 156789006

Frequently Asked Questions

What is the IUPAC name of [phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride?
The IUPAC name of [phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride (CID 175227644) is [phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride.
What is the SMILES notation for [phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride?
The canonical SMILES for [phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride is Cc1cc(C)c(C(=O)P(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1.Cl.
What is the InChIKey of [phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride?
The InChIKey is OBKNZCJVWSNFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27O2P.ClH/c1-16-12-18(3)23(19(4)13-16)25(27)29(22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6;/h7-15H,1-6H3;1H.
What are the key properties of [phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride?
[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride has a molecular weight of 438.94 g/mol, XLogP of 6.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride is sourced from PubChem (CID 175227644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).