2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene

C18H23O2P — CID 23205845

IUPAC2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene
SMILESCCOP(=O)(Cc1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C18H23O2P/c1-5-20-21(19,17-9-7-6-8-10-17)13-18-15(3)11-14(2)12-16(18)4/h6-12H,5,13H2,1-4H3
InChIKeyTYMZWBMKPLVKSI-UHFFFAOYSA-N
MW302.35 g/mol
LogP4.75
Rot. Bonds5

About 2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene

2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene (PubChem CID 23205845) has the molecular formula C18H23O2P and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene
PubChem CID23205845
Molecular FormulaC18H23O2P
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene
SMILESCCOP(=O)(Cc1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C18H23O2P/c1-5-20-21(19,17-9-7-6-8-10-17)13-18-15(3)11-14(2)12-16(18)4/h6-12H,5,13H2,1-4H3
InChIKeyTYMZWBMKPLVKSI-UHFFFAOYSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.75
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

2-(diethoxyphosphorylmethyl)-1,3,5-trimethylbenzene
CID 10400928
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
[ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 161461233
ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate
CID 19708049
1,3,5-trimethyl-2-[[(2-methylphenyl)-[(2,4,6-trimethylphenyl)methyl]phosphoryl]methyl]benzene
CID 159917872
2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
CID 929448
3-[ethoxy(phenyl)phosphoryl]propanamide
CID 132529059
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene
CID 90152256
1-[ethoxy(propyl)phosphoryl]-4-methylbenzene
CID 23081786
4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium
CID 11864416
[ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone
CID 171613029

Frequently Asked Questions

What is the IUPAC name of 2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene (CID 23205845) is 2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene is CCOP(=O)(Cc1c(C)cc(C)cc1C)c1ccccc1.
What is the InChIKey of 2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene?
The InChIKey is TYMZWBMKPLVKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O2P/c1-5-20-21(19,17-9-7-6-8-10-17)13-18-15(3)11-14(2)12-16(18)4/h6-12H,5,13H2,1-4H3.
What are the key properties of 2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene?
2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene has a molecular weight of 302.35 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 23205845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).