2-amino-4-(chloromethyl)-6-methoxyphenol

C8H10ClNO2 — CID 94776906

IUPAC2-amino-4-(chloromethyl)-6-methoxyphenol
SMILESCOc1cc(CCl)cc(N)c1O
InChIInChI=1S/C8H10ClNO2/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-3,11H,4,10H2,1H3
InChIKeyWYEONLYTIFPQTD-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.72
Rot. Bonds2

About 2-amino-4-(chloromethyl)-6-methoxyphenol

2-amino-4-(chloromethyl)-6-methoxyphenol (PubChem CID 94776906) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-amino-4-(chloromethyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-amino-4-(chloromethyl)-6-methoxyphenol
PubChem CID94776906
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name2-amino-4-(chloromethyl)-6-methoxyphenol
SMILESCOc1cc(CCl)cc(N)c1O
InChIInChI=1S/C8H10ClNO2/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-3,11H,4,10H2,1H3
InChIKeyWYEONLYTIFPQTD-UHFFFAOYSA-N
XLogP1.72
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-2,6-dimethoxyphenol
CID 86126298
2-amino-4-(aminomethyl)-6-methoxyphenol
CID 91902669
2-amino-4-(3-chloropropyl)-6-methoxyphenol
CID 94776729
2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol
CID 82160813
2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 25033053
5-(chloromethyl)-1,2-difluoro-3-methoxybenzene
CID 130938766
2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol
CID 171131966
4-amino-6-methoxy-2,3-dimethylphenol
CID 58463229
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
CID 65364393
[4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742775
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
4-[(4,6-diamino-3-pyridinyl)methyl]-2,6-dimethoxyphenol
CID 12656267

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(chloromethyl)-6-methoxyphenol?
The IUPAC name of 2-amino-4-(chloromethyl)-6-methoxyphenol (CID 94776906) is 2-amino-4-(chloromethyl)-6-methoxyphenol.
What is the SMILES notation for 2-amino-4-(chloromethyl)-6-methoxyphenol?
The canonical SMILES for 2-amino-4-(chloromethyl)-6-methoxyphenol is COc1cc(CCl)cc(N)c1O.
What is the InChIKey of 2-amino-4-(chloromethyl)-6-methoxyphenol?
The InChIKey is WYEONLYTIFPQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-3,11H,4,10H2,1H3.
What are the key properties of 2-amino-4-(chloromethyl)-6-methoxyphenol?
2-amino-4-(chloromethyl)-6-methoxyphenol has a molecular weight of 187.63 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(chloromethyl)-6-methoxyphenol is sourced from PubChem (CID 94776906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).