5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol

C14H12Cl3NO2 — CID 63425254

IUPAC5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol
SMILESCOc1ccc(CNc2c(Cl)cc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C14H12Cl3NO2/c1-20-10-3-2-8(13(19)6-10)7-18-14-11(16)4-9(15)5-12(14)17/h2-6,18-19H,7H2,1H3
InChIKeyUZGXTXZLERYCAE-UHFFFAOYSA-N
MW332.61 g/mol
LogP4.97
Rot. Bonds4

About 5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol

5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol (PubChem CID 63425254) has the molecular formula C14H12Cl3NO2 and a molecular weight of 332.61 g/mol. Its IUPAC name is 5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol
PubChem CID63425254
Molecular FormulaC14H12Cl3NO2
Molecular Weight332.61 g/mol
Exact Mass330.99
IUPAC Name5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol
SMILESCOc1ccc(CNc2c(Cl)cc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C14H12Cl3NO2/c1-20-10-3-2-8(13(19)6-10)7-18-14-11(16)4-9(15)5-12(14)17/h2-6,18-19H,7H2,1H3
InChIKeyUZGXTXZLERYCAE-UHFFFAOYSA-N
XLogP4.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.61
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61268573
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747
2-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-5-methoxyphenol
CID 61262504
4-[(2,6-dichloro-4-fluoroanilino)methyl]benzene-1,3-diol
CID 83077129
2-[(4-fluoroanilino)methyl]-5-methoxyphenol
CID 61270048
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
2-[[(5-chloro-1,3-thiazol-2-yl)amino]methyl]-5-methoxyphenol
CID 145483652
4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol
CID 28993144
2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide
CID 61261202
5-methoxy-2-[(pyridin-1-ium-2-ylamino)methyl]phenol
CID 7282837
2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol
CID 61267847

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol?
The IUPAC name of 5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol (CID 63425254) is 5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol?
The canonical SMILES for 5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol is COc1ccc(CNc2c(Cl)cc(Cl)cc2Cl)c(O)c1.
What is the InChIKey of 5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol?
The InChIKey is UZGXTXZLERYCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO2/c1-20-10-3-2-8(13(19)6-10)7-18-14-11(16)4-9(15)5-12(14)17/h2-6,18-19H,7H2,1H3.
What are the key properties of 5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol?
5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol has a molecular weight of 332.61 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol is sourced from PubChem (CID 63425254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).