1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene

C19H25O4P — CID 71606452

IUPAC1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene
SMILESCCOP(=O)(OCC)C(c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H25O4P/c1-5-22-24(20,23-6-2)19(16-9-7-15(3)8-10-16)17-11-13-18(21-4)14-12-17/h7-14,19H,5-6H2,1-4H3
InChIKeyBKSQJWKONPNBBT-UHFFFAOYSA-N
MW348.38 g/mol
LogP5.36
Rot. Bonds8

About 1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene

1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene (PubChem CID 71606452) has the molecular formula C19H25O4P and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene
PubChem CID71606452
Molecular FormulaC19H25O4P
Molecular Weight348.38 g/mol
Exact Mass348.15
IUPAC Name1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene
SMILESCCOP(=O)(OCC)C(c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H25O4P/c1-5-22-24(20,23-6-2)19(16-9-7-15(3)8-10-16)17-11-13-18(21-4)14-12-17/h7-14,19H,5-6H2,1-4H3
InChIKeyBKSQJWKONPNBBT-UHFFFAOYSA-N
XLogP5.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.38
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate
CID 125466938
1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene
CID 90848416
1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene
CID 10404973
1-methoxy-4-methylbenzene;propane
CID 142064987
1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene
CID 102580264
N-[bis(diethoxyphosphoryl)methyl]-4-methoxyaniline
CID 101468043
antimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate
CID 102115420
(1R,2S)-2-amino-1-diethoxyphosphoryl-2-(4-methylphenyl)ethanol
CID 101084250
diethoxyphosphoryl-(4-methylphenyl)methanesulfinic acid
CID 90961878
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine
CID 101471387

Frequently Asked Questions

What is the IUPAC name of 1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene?
The IUPAC name of 1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene (CID 71606452) is 1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene.
What is the SMILES notation for 1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene?
The canonical SMILES for 1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene is CCOP(=O)(OCC)C(c1ccc(C)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene?
The InChIKey is BKSQJWKONPNBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25O4P/c1-5-22-24(20,23-6-2)19(16-9-7-15(3)8-10-16)17-11-13-18(21-4)14-12-17/h7-14,19H,5-6H2,1-4H3.
What are the key properties of 1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene?
1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene has a molecular weight of 348.38 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene is sourced from PubChem (CID 71606452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).