4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol

C15H15Cl2NO3 — CID 107272138

IUPAC4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol
SMILESCOc1cc(NCc2cc(Cl)cc(OC)c2O)ccc1Cl
InChIInChI=1S/C15H15Cl2NO3/c1-20-13-7-11(3-4-12(13)17)18-8-9-5-10(16)6-14(21-2)15(9)19/h3-7,18-19H,8H2,1-2H3
InChIKeyHOYATGPJJDEYJI-UHFFFAOYSA-N
MW328.20 g/mol
LogP4.33
Rot. Bonds5

About 4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol

4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol (PubChem CID 107272138) has the molecular formula C15H15Cl2NO3 and a molecular weight of 328.20 g/mol. Its IUPAC name is 4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol
PubChem CID107272138
Molecular FormulaC15H15Cl2NO3
Molecular Weight328.20 g/mol
Exact Mass327.04
IUPAC Name4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol
SMILESCOc1cc(NCc2cc(Cl)cc(OC)c2O)ccc1Cl
InChIInChI=1S/C15H15Cl2NO3/c1-20-13-7-11(3-4-12(13)17)18-8-9-5-10(16)6-14(21-2)15(9)19/h3-7,18-19H,8H2,1-2H3
InChIKeyHOYATGPJJDEYJI-UHFFFAOYSA-N
XLogP4.33
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-4-fluoroanilino)methyl]-4-chloro-6-methoxyphenol
CID 104775725
4-chloro-2-methoxy-6-[(2,4,5-trichloroanilino)methyl]phenol
CID 104663741
2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol
CID 107272130
4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107621318
4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol
CID 104663758
5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one
CID 104663834
4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol
CID 104645918
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
methyl 2-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272147
4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
CID 104646482
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline
CID 107265964

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol?
The IUPAC name of 4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol (CID 107272138) is 4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol.
What is the SMILES notation for 4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol?
The canonical SMILES for 4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol is COc1cc(NCc2cc(Cl)cc(OC)c2O)ccc1Cl.
What is the InChIKey of 4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol?
The InChIKey is HOYATGPJJDEYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3/c1-20-13-7-11(3-4-12(13)17)18-8-9-5-10(16)6-14(21-2)15(9)19/h3-7,18-19H,8H2,1-2H3.
What are the key properties of 4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol?
4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol has a molecular weight of 328.20 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol is sourced from PubChem (CID 107272138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).