5-amino-2-(3-methoxyphenyl)phenol;hydrochloride

C13H14ClNO2 — CID 22023330

IUPAC5-amino-2-(3-methoxyphenyl)phenol;hydrochloride
SMILESCOc1cccc(-c2ccc(N)cc2O)c1.Cl
InChIInChI=1S/C13H13NO2.ClH/c1-16-11-4-2-3-9(7-11)12-6-5-10(14)8-13(12)15;/h2-8,15H,14H2,1H3;1H
InChIKeyBAEPZGIGFFHNMD-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.07
Rot. Bonds2

About 5-amino-2-(3-methoxyphenyl)phenol;hydrochloride

5-amino-2-(3-methoxyphenyl)phenol;hydrochloride (PubChem CID 22023330) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 5-amino-2-(3-methoxyphenyl)phenol;hydrochloride.

Molecular Properties

Compound Name5-amino-2-(3-methoxyphenyl)phenol;hydrochloride
PubChem CID22023330
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name5-amino-2-(3-methoxyphenyl)phenol;hydrochloride
SMILESCOc1cccc(-c2ccc(N)cc2O)c1.Cl
InChIInChI=1S/C13H13NO2.ClH/c1-16-11-4-2-3-9(7-11)12-6-5-10(14)8-13(12)15;/h2-8,15H,14H2,1H3;1H
InChIKeyBAEPZGIGFFHNMD-UHFFFAOYSA-N
XLogP3.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.07
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

5-amino-2-(3-methoxyphenyl)phenol
CID 12067776
5-amino-2-(3-aminophenyl)phenol;hydrochloride
CID 22023366
5-amino-2-(3-methoxyphenyl)benzonitrile
CID 171663277
4-amino-2-(3-methoxyphenyl)benzoic acid
CID 82293595
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
2-(3-methoxyphenyl)benzene-1,4-diol
CID 83534427
5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol
CID 67689440
2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol
CID 18371877
3-methoxyaniline;sulfane
CID 174447811
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-(2,4-diaminophenyl)-4-methoxyphenol
CID 22061985

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methoxyphenyl)phenol;hydrochloride?
The IUPAC name of 5-amino-2-(3-methoxyphenyl)phenol;hydrochloride (CID 22023330) is 5-amino-2-(3-methoxyphenyl)phenol;hydrochloride.
What is the SMILES notation for 5-amino-2-(3-methoxyphenyl)phenol;hydrochloride?
The canonical SMILES for 5-amino-2-(3-methoxyphenyl)phenol;hydrochloride is COc1cccc(-c2ccc(N)cc2O)c1.Cl.
What is the InChIKey of 5-amino-2-(3-methoxyphenyl)phenol;hydrochloride?
The InChIKey is BAEPZGIGFFHNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2.ClH/c1-16-11-4-2-3-9(7-11)12-6-5-10(14)8-13(12)15;/h2-8,15H,14H2,1H3;1H.
What are the key properties of 5-amino-2-(3-methoxyphenyl)phenol;hydrochloride?
5-amino-2-(3-methoxyphenyl)phenol;hydrochloride has a molecular weight of 251.71 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methoxyphenyl)phenol;hydrochloride is sourced from PubChem (CID 22023330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).