1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine

C21H20FN2O3P — CID 144784943

IUPAC1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine
SMILESCOc1cccc(N(N)P=O)c1COc1ccc(-c2ccc(F)cc2)cc1C
InChIInChI=1S/C21H20FN2O3P/c1-14-12-16(15-6-9-17(22)10-7-15)8-11-20(14)27-13-18-19(24(23)28-25)4-3-5-21(18)26-2/h3-12H,13,23H2,1-2H3
InChIKeyZBCHGHSFTFRMMH-UHFFFAOYSA-N
MW398.37 g/mol
LogP5.28
Rot. Bonds7

About 1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine

1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine (PubChem CID 144784943) has the molecular formula C21H20FN2O3P and a molecular weight of 398.37 g/mol. Its IUPAC name is 1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine.

Molecular Properties

Compound Name1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine
PubChem CID144784943
Molecular FormulaC21H20FN2O3P
Molecular Weight398.37 g/mol
Exact Mass398.12
IUPAC Name1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine
SMILESCOc1cccc(N(N)P=O)c1COc1ccc(-c2ccc(F)cc2)cc1C
InChIInChI=1S/C21H20FN2O3P/c1-14-12-16(15-6-9-17(22)10-7-15)8-11-20(14)27-13-18-19(24(23)28-25)4-3-5-21(18)26-2/h3-12H,13,23H2,1-2H3
InChIKeyZBCHGHSFTFRMMH-UHFFFAOYSA-N
XLogP5.28
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.37
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine 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

1,3-diamino-1-[3-methoxy-2-[[2-methyl-4-(1H-pyrazol-5-yl)phenoxy]methyl]phenyl]-3-methylurea
CID 129109994
1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone
CID 129110007
1,3-diamino-1-[3-methoxy-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-3-methylurea
CID 129109733
1,3-diamino-1-[3-methoxy-2-[[2-methyl-4-(2-methylpropanoyl)phenoxy]methyl]phenyl]-3-methylurea
CID 129109890
1-[3-cyclopropyl-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]-1-phosphorosohydrazine
CID 144799725
1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine
CID 129109961
1,3-diamino-1-[3-methoxy-2-[[2-methyl-4-[2-(2-methylpropyl)pyrazol-3-yl]phenoxy]methyl]phenyl]-3-methylurea
CID 144597778
4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol
CID 144861297
3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline
CID 144784956
formohydrazide;1-[3-methoxy-2-[(2-methyl-4-prop-1-en-2-ylphenoxy)methyl]phenyl]-1-methylhydrazine
CID 144784769
1-[3-methoxy-2-[[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 121384769
4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol
CID 129110059

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine?
The IUPAC name of 1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine (CID 144784943) is 1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine.
What is the SMILES notation for 1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine?
The canonical SMILES for 1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine is COc1cccc(N(N)P=O)c1COc1ccc(-c2ccc(F)cc2)cc1C.
What is the InChIKey of 1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine?
The InChIKey is ZBCHGHSFTFRMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN2O3P/c1-14-12-16(15-6-9-17(22)10-7-15)8-11-20(14)27-13-18-19(24(23)28-25)4-3-5-21(18)26-2/h3-12H,13,23H2,1-2H3.
What are the key properties of 1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine?
1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine has a molecular weight of 398.37 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine is sourced from PubChem (CID 144784943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).