4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol

C15H16ClNO2 — CID 107677940

IUPAC4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol
SMILESCc1cc(CNc2ccc(O)c(Cl)c2)cc(C)c1O
InChIInChI=1S/C15H16ClNO2/c1-9-5-11(6-10(2)15(9)19)8-17-12-3-4-14(18)13(16)7-12/h3-7,17-19H,8H2,1-2H3
InChIKeyGOSYSOJLKVPAGL-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.98
Rot. Bonds3

About 4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol

4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol (PubChem CID 107677940) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol
PubChem CID107677940
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol
SMILESCc1cc(CNc2ccc(O)c(Cl)c2)cc(C)c1O
InChIInChI=1S/C15H16ClNO2/c1-9-5-11(6-10(2)15(9)19)8-17-12-3-4-14(18)13(16)7-12/h3-7,17-19H,8H2,1-2H3
InChIKeyGOSYSOJLKVPAGL-UHFFFAOYSA-N
XLogP3.98
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethoxyphenol
CID 107678634
2-chloro-5-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzoic acid
CID 43736351
2,6-dimethyl-4-[(4-methylanilino)methyl]phenol
CID 28932362
4-[(4-tert-butylphenyl)methylamino]-2-chlorophenol
CID 107678593
4-[(4-ethylanilino)methyl]-2,6-dimethylphenol
CID 28932346
2-bromo-4-[(3-chloro-4-hydroxyanilino)methyl]phenol
CID 107677992
2-chloro-4-[(4-chloro-3-fluorophenyl)methylamino]phenol
CID 107678415
4-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorophenol
CID 107678809
4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol
CID 106817009
4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol
CID 28932342
4-[(3-chloro-4-hydroxyanilino)methyl]benzoic acid
CID 107678285
4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol
CID 28932248

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol (CID 107677940) is 4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol is Cc1cc(CNc2ccc(O)c(Cl)c2)cc(C)c1O.
What is the InChIKey of 4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol?
The InChIKey is GOSYSOJLKVPAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-9-5-11(6-10(2)15(9)19)8-17-12-3-4-14(18)13(16)7-12/h3-7,17-19H,8H2,1-2H3.
What are the key properties of 4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol?
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol has a molecular weight of 277.75 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 107677940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).