3,4-diethyl-6-methoxy-1-(4-methoxyphenyl)-2,1λ5-benzoxaphosphinine 1-oxide

C20H23O4P — CID 72701845

IUPAC3,4-diethyl-6-methoxy-1-(4-methoxyphenyl)-2,1λ5-benzoxaphosphinine 1-oxide
SMILESCCC1=C(CC)c2cc(OC)ccc2P(=O)(c2ccc(OC)cc2)O1
InChIInChI=1S/C20H23O4P/c1-5-17-18-13-15(23-4)9-12-20(18)25(21,24-19(17)6-2)16-10-7-14(22-3)8-11-16/h7-13H,5-6H2,1-4H3
InChIKeyZRPUUZGRBIBVRP-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.49
Rot. Bonds5

About 3,4-diethyl-6-methoxy-1-(4-methoxyphenyl)-2,1λ5-benzoxaphosphinine 1-oxide

3,4-diethyl-6-methoxy-1-(4-methoxyphenyl)-2,1λ5-benzoxaphosphinine 1-oxide (PubChem CID 72701845) has the molecular formula C20H23O4P and a molecular weight of 358.37 g/mol. Its IUPAC name is 3,4-diethyl-6-methoxy-1-(4-methoxyphenyl)-2,1λ5-benzoxaphosphinine 1-oxide.

Molecular Properties

Compound Name3,4-diethyl-6-methoxy-1-(4-methoxyphenyl)-2,1λ5-benzoxaphosphinine 1-oxide
PubChem CID72701845
Molecular FormulaC20H23O4P
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name3,4-diethyl-6-methoxy-1-(4-methoxyphenyl)-2,1λ5-benzoxaphosphinine 1-oxide
SMILESCCC1=C(CC)c2cc(OC)ccc2P(=O)(c2ccc(OC)cc2)O1
InChIInChI=1S/C20H23O4P/c1-5-17-18-13-15(23-4)9-12-20(18)25(21,24-19(17)6-2)16-10-7-14(22-3)8-11-16/h7-13H,5-6H2,1-4H3
InChIKeyZRPUUZGRBIBVRP-UHFFFAOYSA-N
XLogP4.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4-diethyl-6-methoxy-1-(4-methoxyphenyl)-2,1λ5-benzoxaphosphinine 1-oxide 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

1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 14954814
(2-Phenylmethoxyphenyl)phosphonic acid
CID 279160
Phosphine oxide, [(2-methoxyphenyl)methyl]diphenyl-
CID 796917
1-methoxy-3-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 44428189
{1-[3-(Decyloxy)phenyl]-2-phosphonodecan-2-yl}phosphonic acid
CID 25023884
Tripotassium;4-(3-phenoxyphenyl)butyl-(phosphonatomethyl)phosphinate
CID 44185311
1-Methoxy-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 14926725
Phenol, 3-ethyl-, phosphate (3:1)
CID 104306
3,3'-Ethylenebis(anisole)
CID 4345473
Phosphinecarboxylic acid, bis(4-methylphenoxy)-, phenyl ester, oxide
CID 512105
1-[[Butyl(ethoxy)phosphoryl]oxymethyl]-3-phenoxybenzene
CID 5272052
Dipotassium;3-(3-phenoxyphenyl)propyl 2-phosphonatoacetate
CID 44185385

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-6-methoxy-1-(4-methoxyphenyl)-2,1λ5-benzoxaphosphinine 1-oxide?
The IUPAC name of 3,4-diethyl-6-methoxy-1-(4-methoxyphenyl)-2,1λ5-benzoxaphosphinine 1-oxide (CID 72701845) is 3,4-diethyl-6-methoxy-1-(4-methoxyphenyl)-2,1λ5-benzoxaphosphinine 1-oxide.
What is the SMILES notation for 3,4-diethyl-6-methoxy-1-(4-methoxyphenyl)-2,1λ5-benzoxaphosphinine 1-oxide?
The canonical SMILES for 3,4-diethyl-6-methoxy-1-(4-methoxyphenyl)-2,1λ5-benzoxaphosphinine 1-oxide is CCC1=C(CC)c2cc(OC)ccc2P(=O)(c2ccc(OC)cc2)O1.
What is the InChIKey of 3,4-diethyl-6-methoxy-1-(4-methoxyphenyl)-2,1λ5-benzoxaphosphinine 1-oxide?
The InChIKey is ZRPUUZGRBIBVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23O4P/c1-5-17-18-13-15(23-4)9-12-20(18)25(21,24-19(17)6-2)16-10-7-14(22-3)8-11-16/h7-13H,5-6H2,1-4H3.
What are the key properties of 3,4-diethyl-6-methoxy-1-(4-methoxyphenyl)-2,1λ5-benzoxaphosphinine 1-oxide?
3,4-diethyl-6-methoxy-1-(4-methoxyphenyl)-2,1λ5-benzoxaphosphinine 1-oxide has a molecular weight of 358.37 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-6-methoxy-1-(4-methoxyphenyl)-2,1λ5-benzoxaphosphinine 1-oxide is sourced from PubChem (CID 72701845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).