4-[(2-amino-6-methylphenyl)methoxy]-3-chlorophenol

C14H14ClNO2 — CID 129110246

IUPAC4-[(2-amino-6-methylphenyl)methoxy]-3-chlorophenol
SMILESCc1cccc(N)c1COc1ccc(O)cc1Cl
InChIInChI=1S/C14H14ClNO2/c1-9-3-2-4-13(16)11(9)8-18-14-6-5-10(17)7-12(14)15/h2-7,17H,8,16H2,1H3
InChIKeyGBYNEPBUEIAOIG-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.52
Rot. Bonds3

About 4-[(2-amino-6-methylphenyl)methoxy]-3-chlorophenol

4-[(2-amino-6-methylphenyl)methoxy]-3-chlorophenol (PubChem CID 129110246) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 4-[(2-amino-6-methylphenyl)methoxy]-3-chlorophenol.

Molecular Properties

Compound Name4-[(2-amino-6-methylphenyl)methoxy]-3-chlorophenol
PubChem CID129110246
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name4-[(2-amino-6-methylphenyl)methoxy]-3-chlorophenol
SMILESCc1cccc(N)c1COc1ccc(O)cc1Cl
InChIInChI=1S/C14H14ClNO2/c1-9-3-2-4-13(16)11(9)8-18-14-6-5-10(17)7-12(14)15/h2-7,17H,8,16H2,1H3
InChIKeyGBYNEPBUEIAOIG-UHFFFAOYSA-N
XLogP3.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-amino-6-methylphenyl)methoxy]-3-methylphenol
CID 129110100
N-bromo-2-[(2-chloro-4-hydroxyphenoxy)methyl]-3-methylbenzamide
CID 129110149
4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol
CID 129110059
3-bromo-2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline
CID 121367437
2-[(5-bromo-2-methylphenoxy)methyl]-3-chloroaniline
CID 107283450
3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 129110182
3-chloro-2-[(4-chloro-2,6-dimethylphenoxy)methyl]aniline
CID 63747302
2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene
CID 118244207
[3-chloro-2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl] cyanate
CID 129110214
N-chloro-2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylbenzamide
CID 129110227
1,3-diamino-1-[2-[(2-chloro-4-hydroxyphenoxy)methyl]-3-ethoxyphenyl]-3-methylurea
CID 144597888
methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate
CID 126587706

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-6-methylphenyl)methoxy]-3-chlorophenol?
The IUPAC name of 4-[(2-amino-6-methylphenyl)methoxy]-3-chlorophenol (CID 129110246) is 4-[(2-amino-6-methylphenyl)methoxy]-3-chlorophenol.
What is the SMILES notation for 4-[(2-amino-6-methylphenyl)methoxy]-3-chlorophenol?
The canonical SMILES for 4-[(2-amino-6-methylphenyl)methoxy]-3-chlorophenol is Cc1cccc(N)c1COc1ccc(O)cc1Cl.
What is the InChIKey of 4-[(2-amino-6-methylphenyl)methoxy]-3-chlorophenol?
The InChIKey is GBYNEPBUEIAOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-9-3-2-4-13(16)11(9)8-18-14-6-5-10(17)7-12(14)15/h2-7,17H,8,16H2,1H3.
What are the key properties of 4-[(2-amino-6-methylphenyl)methoxy]-3-chlorophenol?
4-[(2-amino-6-methylphenyl)methoxy]-3-chlorophenol has a molecular weight of 263.72 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-6-methylphenyl)methoxy]-3-chlorophenol is sourced from PubChem (CID 129110246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).