2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol

C14H13Cl2NO3 — CID 107678999

IUPAC2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol
SMILESCOc1ccc(O)c(CNc2cc(Cl)c(O)c(Cl)c2)c1
InChIInChI=1S/C14H13Cl2NO3/c1-20-10-2-3-13(18)8(4-10)7-17-9-5-11(15)14(19)12(16)6-9/h2-6,17-19H,7H2,1H3
InChIKeyUTPXXYLLCBMRKM-UHFFFAOYSA-N
MW314.17 g/mol
LogP4.03
Rot. Bonds4

About 2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol

2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol (PubChem CID 107678999) has the molecular formula C14H13Cl2NO3 and a molecular weight of 314.17 g/mol. Its IUPAC name is 2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol
PubChem CID107678999
Molecular FormulaC14H13Cl2NO3
Molecular Weight314.17 g/mol
Exact Mass313.03
IUPAC Name2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol
SMILESCOc1ccc(O)c(CNc2cc(Cl)c(O)c(Cl)c2)c1
InChIInChI=1S/C14H13Cl2NO3/c1-20-10-2-3-13(18)8(4-10)7-17-9-5-11(15)14(19)12(16)6-9/h2-6,17-19H,7H2,1H3
InChIKeyUTPXXYLLCBMRKM-UHFFFAOYSA-N
XLogP4.03
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol
CID 107272130
2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol
CID 126119272
4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide
CID 28614468
2-[(3-chloro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61268573
2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol
CID 28622648
[4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea
CID 43744824
2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol
CID 65484698
4-[(3,5-dimethoxyanilino)methyl]benzene-1,2,3-triol
CID 103952990
2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol
CID 28974217
4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol
CID 62867698
2-[(1-benzothiophen-5-ylamino)methyl]-4-methoxyphenol
CID 43687645
2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol
CID 28725691

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol?
The IUPAC name of 2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol (CID 107678999) is 2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol?
The canonical SMILES for 2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol is COc1ccc(O)c(CNc2cc(Cl)c(O)c(Cl)c2)c1.
What is the InChIKey of 2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol?
The InChIKey is UTPXXYLLCBMRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3/c1-20-10-2-3-13(18)8(4-10)7-17-9-5-11(15)14(19)12(16)6-9/h2-6,17-19H,7H2,1H3.
What are the key properties of 2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol?
2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol has a molecular weight of 314.17 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol is sourced from PubChem (CID 107678999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).