4-[[4-[[ethoxy(methyl)phosphoryl]methyl]-2,6-dimethylphenyl]methyl]phenol

C19H25O3P — CID 68957718

IUPAC4-[[4-[[ethoxy(methyl)phosphoryl]methyl]-2,6-dimethylphenyl]methyl]phenol
SMILESCCOP(C)(=O)Cc1cc(C)c(Cc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C19H25O3P/c1-5-22-23(4,21)13-17-10-14(2)19(15(3)11-17)12-16-6-8-18(20)9-7-16/h6-11,20H,5,12-13H2,1-4H3
InChIKeyGZCIHOSCGYTSHE-UHFFFAOYSA-N
MW332.38 g/mol
LogP5.04
Rot. Bonds6

About 4-[[4-[[ethoxy(methyl)phosphoryl]methyl]-2,6-dimethylphenyl]methyl]phenol

4-[[4-[[ethoxy(methyl)phosphoryl]methyl]-2,6-dimethylphenyl]methyl]phenol (PubChem CID 68957718) has the molecular formula C19H25O3P and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-[[4-[[ethoxy(methyl)phosphoryl]methyl]-2,6-dimethylphenyl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-[[ethoxy(methyl)phosphoryl]methyl]-2,6-dimethylphenyl]methyl]phenol
PubChem CID68957718
Molecular FormulaC19H25O3P
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name4-[[4-[[ethoxy(methyl)phosphoryl]methyl]-2,6-dimethylphenyl]methyl]phenol
SMILESCCOP(C)(=O)Cc1cc(C)c(Cc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C19H25O3P/c1-5-22-23(4,21)13-17-10-14(2)19(15(3)11-17)12-16-6-8-18(20)9-7-16/h6-11,20H,5,12-13H2,1-4H3
InChIKeyGZCIHOSCGYTSHE-UHFFFAOYSA-N
XLogP5.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.38
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(diethoxyphosphorylmethyl)-5-[[ethoxy(methyl)phosphoryl]methyl]benzene;propane
CID 142864650
2-[4-[(4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]acetic acid
CID 162661242
4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol
CID 88656560
4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol
CID 162653832
4-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol
CID 90747684
benzyl N-[[ethoxy(methyl)phosphoryl]methyl]-N-[4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]-3,5-dimethylphenyl]carbamate
CID 68958780
ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid
CID 87175840
2-[5-(diethoxyphosphorylmethyl)-2-pyridinyl]-5-[[ethoxy(methyl)phosphoryl]methyl]pyridine
CID 88887046
[4-[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenoxy]methylphosphonic acid
CID 25150124
[4-[[4-hydroxy-3-[(2-oxo-2-propoxyethyl)carbamoyl]phenyl]methyl]-3,5-dimethylphenyl]methyl-methylphosphinic acid
CID 123427856
4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol
CID 57349790
4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol
CID 66642899

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[ethoxy(methyl)phosphoryl]methyl]-2,6-dimethylphenyl]methyl]phenol?
The IUPAC name of 4-[[4-[[ethoxy(methyl)phosphoryl]methyl]-2,6-dimethylphenyl]methyl]phenol (CID 68957718) is 4-[[4-[[ethoxy(methyl)phosphoryl]methyl]-2,6-dimethylphenyl]methyl]phenol.
What is the SMILES notation for 4-[[4-[[ethoxy(methyl)phosphoryl]methyl]-2,6-dimethylphenyl]methyl]phenol?
The canonical SMILES for 4-[[4-[[ethoxy(methyl)phosphoryl]methyl]-2,6-dimethylphenyl]methyl]phenol is CCOP(C)(=O)Cc1cc(C)c(Cc2ccc(O)cc2)c(C)c1.
What is the InChIKey of 4-[[4-[[ethoxy(methyl)phosphoryl]methyl]-2,6-dimethylphenyl]methyl]phenol?
The InChIKey is GZCIHOSCGYTSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25O3P/c1-5-22-23(4,21)13-17-10-14(2)19(15(3)11-17)12-16-6-8-18(20)9-7-16/h6-11,20H,5,12-13H2,1-4H3.
What are the key properties of 4-[[4-[[ethoxy(methyl)phosphoryl]methyl]-2,6-dimethylphenyl]methyl]phenol?
4-[[4-[[ethoxy(methyl)phosphoryl]methyl]-2,6-dimethylphenyl]methyl]phenol has a molecular weight of 332.38 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[ethoxy(methyl)phosphoryl]methyl]-2,6-dimethylphenyl]methyl]phenol is sourced from PubChem (CID 68957718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).