[phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone

C19H23OP — CID 154266689

IUPAC[phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(c2ccccc2)C(C)C)c(C)c1
InChIInChI=1S/C19H23OP/c1-13(2)21(17-9-7-6-8-10-17)19(20)18-15(4)11-14(3)12-16(18)5/h6-13H,1-5H3
InChIKeyISOGAFPNWCGENN-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.97
Rot. Bonds4

About [phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone

[phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 154266689) has the molecular formula C19H23OP and a molecular weight of 298.37 g/mol. Its IUPAC name is [phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
PubChem CID154266689
Molecular FormulaC19H23OP
Molecular Weight298.37 g/mol
Exact Mass298.15
IUPAC Name[phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(c2ccccc2)C(C)C)c(C)c1
InChIInChI=1S/C19H23OP/c1-13(2)21(17-9-7-6-8-10-17)19(20)18-15(4)11-14(3)12-16(18)5/h6-13H,1-5H3
InChIKeyISOGAFPNWCGENN-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride
CID 175227644
[ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium
CID 160631618
diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium
CID 69491265
N-[[3,5-dimethyl-4-[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]carbonylphenyl]methyl]prop-2-enamide
CID 144597455
[benzyl(2,4,4-trimethylpentyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 154395380
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
[methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 59218785
(2-diphenylphosphanylcarbonyl-3,5-dimethylphenyl)methyl prop-2-enoate
CID 144597456
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
CID 156789006
3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one
CID 154349504

Frequently Asked Questions

What is the IUPAC name of [phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone (CID 154266689) is [phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)P(c2ccccc2)C(C)C)c(C)c1.
What is the InChIKey of [phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is ISOGAFPNWCGENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23OP/c1-13(2)21(17-9-7-6-8-10-17)19(20)18-15(4)11-14(3)12-16(18)5/h6-13H,1-5H3.
What are the key properties of [phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone?
[phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 298.37 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 154266689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).