3-amino-4-chloro-5-methoxyphenol

C7H8ClNO2 — CID 118029335

IUPAC3-amino-4-chloro-5-methoxyphenol
SMILESCOc1cc(O)cc(N)c1Cl
InChIInChI=1S/C7H8ClNO2/c1-11-6-3-4(10)2-5(9)7(6)8/h2-3,10H,9H2,1H3
InChIKeyYVVMLDNOGZCWIA-UHFFFAOYSA-N
MW173.60 g/mol
LogP1.64
Rot. Bonds1

About 3-amino-4-chloro-5-methoxyphenol

3-amino-4-chloro-5-methoxyphenol (PubChem CID 118029335) has the molecular formula C7H8ClNO2 and a molecular weight of 173.60 g/mol. Its IUPAC name is 3-amino-4-chloro-5-methoxyphenol.

Molecular Properties

Compound Name3-amino-4-chloro-5-methoxyphenol
PubChem CID118029335
Molecular FormulaC7H8ClNO2
Molecular Weight173.60 g/mol
Exact Mass173.02
IUPAC Name3-amino-4-chloro-5-methoxyphenol
SMILESCOc1cc(O)cc(N)c1Cl
InChIInChI=1S/C7H8ClNO2/c1-11-6-3-4(10)2-5(9)7(6)8/h2-3,10H,9H2,1H3
InChIKeyYVVMLDNOGZCWIA-UHFFFAOYSA-N
XLogP1.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 51.64
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-chloro-5-methoxybenzene-1,3-diol
CID 130033872
3-amino-2-chloro-6-methoxyphenol
CID 45120120
4-bromo-3,5-dimethoxyphenol
CID 14339099
4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol
CID 14993626
2,4-dichloro-3,5-dimethoxyphenol
CID 154103285
5-chloro-3-methoxy-2-methylaniline
CID 97179579
4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171221934
3-amino-4-chloro-5-(trifluoromethyl)phenol
CID 119004792
2-amino-3-chloro-4,6-dimethoxybenzoic acid
CID 136575886
3-chloro-4-cyclopropyl-5-methoxyphenol
CID 84668563
3-chloro-4-methoxybenzene-1,2-diamine
CID 122129593
5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-5-methoxyphenol?
The IUPAC name of 3-amino-4-chloro-5-methoxyphenol (CID 118029335) is 3-amino-4-chloro-5-methoxyphenol.
What is the SMILES notation for 3-amino-4-chloro-5-methoxyphenol?
The canonical SMILES for 3-amino-4-chloro-5-methoxyphenol is COc1cc(O)cc(N)c1Cl.
What is the InChIKey of 3-amino-4-chloro-5-methoxyphenol?
The InChIKey is YVVMLDNOGZCWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2/c1-11-6-3-4(10)2-5(9)7(6)8/h2-3,10H,9H2,1H3.
What are the key properties of 3-amino-4-chloro-5-methoxyphenol?
3-amino-4-chloro-5-methoxyphenol has a molecular weight of 173.60 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-5-methoxyphenol is sourced from PubChem (CID 118029335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).