(3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone

C26H29O2P — CID 142409152

IUPAC(3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone
SMILESCCc1c(C)c(CC)c(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C26H29O2P/c1-6-23-18(3)24(7-2)20(5)25(19(23)4)26(27)29(28,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17H,6-7H2,1-5H3
InChIKeyRFMSGOBUXJMNDM-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.89
Rot. Bonds6

About (3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone

(3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone (PubChem CID 142409152) has the molecular formula C26H29O2P and a molecular weight of 404.49 g/mol. Its IUPAC name is (3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone.

Molecular Properties

Compound Name(3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone
PubChem CID142409152
Molecular FormulaC26H29O2P
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name(3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone
SMILESCCc1c(C)c(CC)c(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C26H29O2P/c1-6-23-18(3)24(7-2)20(5)25(19(23)4)26(27)29(28,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17H,6-7H2,1-5H3
InChIKeyRFMSGOBUXJMNDM-UHFFFAOYSA-N
XLogP5.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.89
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

(3-ethyl-2,4,6-trimethylbenzoyl)-phenylphosphinic acid
CID 175778832
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
[2,6-dimethyl-4-(sulfanylmethyl)phenyl]-diphenylphosphorylmethanone
CID 88978120
3,5-diethyl-2,4,6-trimethylbenzoic acid
CID 58163461
diphenylphosphoryl-[4-[[(4-diphenylphosphorylcarbonyl-3,5-dimethylphenyl)methyldisulfanyl]methyl]-2,6-dimethylphenyl]methanone
CID 146633194
(2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone
CID 22639267
1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)hexadecan-1-one
CID 163214038
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-[[3-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-methoxysulfonylethyl)amino]methyl]-5-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl]methyl]amino]ethanesulfonic acid
CID 162067941
2-(3-diphenylphosphorylcarbonyl-2,4-dimethylphenoxy)acetic acid
CID 155081855
CID 157152357
CID 157152357
[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 155797932
N-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide
CID 177063113

Frequently Asked Questions

What is the IUPAC name of (3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone?
The IUPAC name of (3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone (CID 142409152) is (3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone.
What is the SMILES notation for (3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone?
The canonical SMILES for (3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone is CCc1c(C)c(CC)c(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1C.
What is the InChIKey of (3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone?
The InChIKey is RFMSGOBUXJMNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29O2P/c1-6-23-18(3)24(7-2)20(5)25(19(23)4)26(27)29(28,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17H,6-7H2,1-5H3.
What are the key properties of (3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone?
(3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone has a molecular weight of 404.49 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone is sourced from PubChem (CID 142409152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).