5-amino-3-(2-hydroxyanilino)-2-methoxyphenol

C13H14N2O3 — CID 91231485

IUPAC5-amino-3-(2-hydroxyanilino)-2-methoxyphenol
SMILESCOc1c(O)cc(N)cc1Nc1ccccc1O
InChIInChI=1S/C13H14N2O3/c1-18-13-10(6-8(14)7-12(13)17)15-9-4-2-3-5-11(9)16/h2-7,15-17H,14H2,1H3
InChIKeyBDUVCNVIQKRJPS-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.43
Rot. Bonds3

About 5-amino-3-(2-hydroxyanilino)-2-methoxyphenol

5-amino-3-(2-hydroxyanilino)-2-methoxyphenol (PubChem CID 91231485) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-amino-3-(2-hydroxyanilino)-2-methoxyphenol.

Molecular Properties

Compound Name5-amino-3-(2-hydroxyanilino)-2-methoxyphenol
PubChem CID91231485
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-amino-3-(2-hydroxyanilino)-2-methoxyphenol
SMILESCOc1c(O)cc(N)cc1Nc1ccccc1O
InChIInChI=1S/C13H14N2O3/c1-18-13-10(6-8(14)7-12(13)17)15-9-4-2-3-5-11(9)16/h2-7,15-17H,14H2,1H3
InChIKeyBDUVCNVIQKRJPS-UHFFFAOYSA-N
XLogP2.43
TPSA87.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-(2-hydroxyanilino)-2-methylphenol
CID 57106055
3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol
CID 57011726
2-[2-(2-hydroxyanilino)anilino]phenol
CID 19351988
5-amino-4-(2-hydroxyanilino)-2-methylphenol
CID 57133652
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
2-methoxy-3-(methylamino)phenol
CID 68789660
2-[4-(2-hydroxyanilino)anilino]phenol
CID 67211974
2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride
CID 44661730
5-amino-4,6-dimethoxybenzene-1,3-diol
CID 45091349
methyl N-(2-hydroxyphenyl)carbamate
CID 819280
2-[4-(2-ethoxyanilino)anilino]phenol
CID 139619306
5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
CID 80722898

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-hydroxyanilino)-2-methoxyphenol?
The IUPAC name of 5-amino-3-(2-hydroxyanilino)-2-methoxyphenol (CID 91231485) is 5-amino-3-(2-hydroxyanilino)-2-methoxyphenol.
What is the SMILES notation for 5-amino-3-(2-hydroxyanilino)-2-methoxyphenol?
The canonical SMILES for 5-amino-3-(2-hydroxyanilino)-2-methoxyphenol is COc1c(O)cc(N)cc1Nc1ccccc1O.
What is the InChIKey of 5-amino-3-(2-hydroxyanilino)-2-methoxyphenol?
The InChIKey is BDUVCNVIQKRJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-13-10(6-8(14)7-12(13)17)15-9-4-2-3-5-11(9)16/h2-7,15-17H,14H2,1H3.
What are the key properties of 5-amino-3-(2-hydroxyanilino)-2-methoxyphenol?
5-amino-3-(2-hydroxyanilino)-2-methoxyphenol has a molecular weight of 246.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-hydroxyanilino)-2-methoxyphenol is sourced from PubChem (CID 91231485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).