4-ethyl-2-phenoxy-4-(2,4,6-trimethylphenyl)-1,3,2-dioxaphosphetane

C18H21O3P — CID 151785998

IUPAC4-ethyl-2-phenoxy-4-(2,4,6-trimethylphenyl)-1,3,2-dioxaphosphetane
SMILESCCC1(c2c(C)cc(C)cc2C)OP(Oc2ccccc2)O1
InChIInChI=1S/C18H21O3P/c1-5-18(17-14(3)11-13(2)12-15(17)4)20-22(21-18)19-16-9-7-6-8-10-16/h6-12H,5H2,1-4H3
InChIKeyRVPLDXSJCBPODU-UHFFFAOYSA-N
MW316.34 g/mol
LogP5.53
Rot. Bonds4

About 4-ethyl-2-phenoxy-4-(2,4,6-trimethylphenyl)-1,3,2-dioxaphosphetane

4-ethyl-2-phenoxy-4-(2,4,6-trimethylphenyl)-1,3,2-dioxaphosphetane (PubChem CID 151785998) has the molecular formula C18H21O3P and a molecular weight of 316.34 g/mol. Its IUPAC name is 4-ethyl-2-phenoxy-4-(2,4,6-trimethylphenyl)-1,3,2-dioxaphosphetane.

Molecular Properties

Compound Name4-ethyl-2-phenoxy-4-(2,4,6-trimethylphenyl)-1,3,2-dioxaphosphetane
PubChem CID151785998
Molecular FormulaC18H21O3P
Molecular Weight316.34 g/mol
Exact Mass316.12
IUPAC Name4-ethyl-2-phenoxy-4-(2,4,6-trimethylphenyl)-1,3,2-dioxaphosphetane
SMILESCCC1(c2c(C)cc(C)cc2C)OP(Oc2ccccc2)O1
InChIInChI=1S/C18H21O3P/c1-5-18(17-14(3)11-13(2)12-15(17)4)20-22(21-18)19-16-9-7-6-8-10-16/h6-12H,5H2,1-4H3
InChIKeyRVPLDXSJCBPODU-UHFFFAOYSA-N
XLogP5.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.34
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-2-(2-phenoxyethoxy)aniline
CID 54853263
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
(3S)-3-ethyl-3,4,6-trimethyl-2-benzofuran-1-one
CID 92982290
ethane;phenoxybenzene;propane
CID 90923491
diphenyl (2,4,6-trimethylphenyl) phosphite
CID 23454654
6,13-bis(2,4,6-trimethylphenyl)pentacene-6,13-diol
CID 141153734
copper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride
CID 173453558
2,6-dimethyl-4-phenoxybenzenethiol
CID 71052663
2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54796665
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
lithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite
CID 160891413
1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene
CID 173374837

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-phenoxy-4-(2,4,6-trimethylphenyl)-1,3,2-dioxaphosphetane?
The IUPAC name of 4-ethyl-2-phenoxy-4-(2,4,6-trimethylphenyl)-1,3,2-dioxaphosphetane (CID 151785998) is 4-ethyl-2-phenoxy-4-(2,4,6-trimethylphenyl)-1,3,2-dioxaphosphetane.
What is the SMILES notation for 4-ethyl-2-phenoxy-4-(2,4,6-trimethylphenyl)-1,3,2-dioxaphosphetane?
The canonical SMILES for 4-ethyl-2-phenoxy-4-(2,4,6-trimethylphenyl)-1,3,2-dioxaphosphetane is CCC1(c2c(C)cc(C)cc2C)OP(Oc2ccccc2)O1.
What is the InChIKey of 4-ethyl-2-phenoxy-4-(2,4,6-trimethylphenyl)-1,3,2-dioxaphosphetane?
The InChIKey is RVPLDXSJCBPODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O3P/c1-5-18(17-14(3)11-13(2)12-15(17)4)20-22(21-18)19-16-9-7-6-8-10-16/h6-12H,5H2,1-4H3.
What are the key properties of 4-ethyl-2-phenoxy-4-(2,4,6-trimethylphenyl)-1,3,2-dioxaphosphetane?
4-ethyl-2-phenoxy-4-(2,4,6-trimethylphenyl)-1,3,2-dioxaphosphetane has a molecular weight of 316.34 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-phenoxy-4-(2,4,6-trimethylphenyl)-1,3,2-dioxaphosphetane is sourced from PubChem (CID 151785998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).