(3-ethyl-2,4,6-trimethylphenyl)-phenylphosphanylmethanone

C18H21OP — CID 174960261

IUPAC(3-ethyl-2,4,6-trimethylphenyl)-phenylphosphanylmethanone
SMILESCCc1c(C)cc(C)c(C(=O)Pc2ccccc2)c1C
InChIInChI=1S/C18H21OP/c1-5-16-12(2)11-13(3)17(14(16)4)18(19)20-15-9-7-6-8-10-15/h6-11,20H,5H2,1-4H3
InChIKeyRFXKIFJEKRUCDD-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.32
Rot. Bonds4

About (3-ethyl-2,4,6-trimethylphenyl)-phenylphosphanylmethanone

(3-ethyl-2,4,6-trimethylphenyl)-phenylphosphanylmethanone (PubChem CID 174960261) has the molecular formula C18H21OP and a molecular weight of 284.34 g/mol. Its IUPAC name is (3-ethyl-2,4,6-trimethylphenyl)-phenylphosphanylmethanone.

Molecular Properties

Compound Name(3-ethyl-2,4,6-trimethylphenyl)-phenylphosphanylmethanone
PubChem CID174960261
Molecular FormulaC18H21OP
Molecular Weight284.34 g/mol
Exact Mass284.13
IUPAC Name(3-ethyl-2,4,6-trimethylphenyl)-phenylphosphanylmethanone
SMILESCCc1c(C)cc(C)c(C(=O)Pc2ccccc2)c1C
InChIInChI=1S/C18H21OP/c1-5-16-12(2)11-13(3)17(14(16)4)18(19)20-15-9-7-6-8-10-15/h6-11,20H,5H2,1-4H3
InChIKeyRFXKIFJEKRUCDD-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.32
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

(4-tert-butyl-2,6-dimethylphenyl)-phenylphosphanylmethanone
CID 18514788
(3-ethyl-2,4,6-trimethylbenzoyl)-phenylphosphinic acid
CID 175778832
lithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18515081
lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244822
lithium;hydride;(2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 173245851
CID 70014414
CID 70014414
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(4-phenylphenyl)phosphanylmethanone;hydride
CID 173245629
lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514332
lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride
CID 173244321
3-[4-(3-carboxy-2,4,6-trimethylphenyl)butyl]-2,4,6-trimethylbenzoic acid
CID 101483124
phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70015637
lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone
CID 173245829

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2,4,6-trimethylphenyl)-phenylphosphanylmethanone?
The IUPAC name of (3-ethyl-2,4,6-trimethylphenyl)-phenylphosphanylmethanone (CID 174960261) is (3-ethyl-2,4,6-trimethylphenyl)-phenylphosphanylmethanone.
What is the SMILES notation for (3-ethyl-2,4,6-trimethylphenyl)-phenylphosphanylmethanone?
The canonical SMILES for (3-ethyl-2,4,6-trimethylphenyl)-phenylphosphanylmethanone is CCc1c(C)cc(C)c(C(=O)Pc2ccccc2)c1C.
What is the InChIKey of (3-ethyl-2,4,6-trimethylphenyl)-phenylphosphanylmethanone?
The InChIKey is RFXKIFJEKRUCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21OP/c1-5-16-12(2)11-13(3)17(14(16)4)18(19)20-15-9-7-6-8-10-15/h6-11,20H,5H2,1-4H3.
What are the key properties of (3-ethyl-2,4,6-trimethylphenyl)-phenylphosphanylmethanone?
(3-ethyl-2,4,6-trimethylphenyl)-phenylphosphanylmethanone has a molecular weight of 284.34 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2,4,6-trimethylphenyl)-phenylphosphanylmethanone is sourced from PubChem (CID 174960261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).