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

C14H12Cl3NO2 — CID 104663758

IUPAC4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol
SMILESCOc1cc(Cl)cc(CNc2cccc(Cl)c2Cl)c1O
InChIInChI=1S/C14H12Cl3NO2/c1-20-12-6-9(15)5-8(14(12)19)7-18-11-4-2-3-10(16)13(11)17/h2-6,18-19H,7H2,1H3
InChIKeyCSFVHLATOCTSOZ-UHFFFAOYSA-N
MW332.61 g/mol
LogP4.97
Rot. Bonds4

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

4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol (PubChem CID 104663758) has the molecular formula C14H12Cl3NO2 and a molecular weight of 332.61 g/mol. Its IUPAC name is 4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol
PubChem CID104663758
Molecular FormulaC14H12Cl3NO2
Molecular Weight332.61 g/mol
Exact Mass330.99
IUPAC Name4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol
SMILESCOc1cc(Cl)cc(CNc2cccc(Cl)c2Cl)c1O
InChIInChI=1S/C14H12Cl3NO2/c1-20-12-6-9(15)5-8(14(12)19)7-18-11-4-2-3-10(16)13(11)17/h2-6,18-19H,7H2,1H3
InChIKeyCSFVHLATOCTSOZ-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

4-chloro-2-methoxy-6-[(2,4,5-trichloroanilino)methyl]phenol
CID 104663741
4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol
CID 104645918
4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol
CID 107272138
4-chloro-2-methoxy-6-[(2-methylbut-3-yn-2-ylamino)methyl]phenol
CID 113438659
2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol
CID 29274459
2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-5-fluorobenzonitrile
CID 104663974
4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
CID 104646482
2-[(3-bromo-4-fluoroanilino)methyl]-4-chloro-6-methoxyphenol
CID 104775725
N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 66159868
2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol
CID 103292059
2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol
CID 104726382
2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol
CID 103880785

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol?
The IUPAC name of 4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol (CID 104663758) is 4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol.
What is the SMILES notation for 4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol?
The canonical SMILES for 4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol is COc1cc(Cl)cc(CNc2cccc(Cl)c2Cl)c1O.
What is the InChIKey of 4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol?
The InChIKey is CSFVHLATOCTSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO2/c1-20-12-6-9(15)5-8(14(12)19)7-18-11-4-2-3-10(16)13(11)17/h2-6,18-19H,7H2,1H3.
What are the key properties of 4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol?
4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol 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 4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol is sourced from PubChem (CID 104663758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).