3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol

C14H15NO4 — CID 57011726

IUPAC3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol
SMILESCOc1c(O)cccc1Nc1cccc(O)c1OC
InChIInChI=1S/C14H15NO4/c1-18-13-9(5-3-7-11(13)16)15-10-6-4-8-12(17)14(10)19-2/h3-8,15-17H,1-2H3
InChIKeyZLMOBHXYHRETBK-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.86
Rot. Bonds4

About 3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol

3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol (PubChem CID 57011726) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol.

Molecular Properties

Compound Name3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol
PubChem CID57011726
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol
SMILESCOc1c(O)cccc1Nc1cccc(O)c1OC
InChIInChI=1S/C14H15NO4/c1-18-13-9(5-3-7-11(13)16)15-10-6-4-8-12(17)14(10)19-2/h3-8,15-17H,1-2H3
InChIKeyZLMOBHXYHRETBK-UHFFFAOYSA-N
XLogP2.86
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-(methylamino)phenol
CID 68789660
5-amino-3-(2-hydroxyanilino)-2-methoxyphenol
CID 91231485
3-chloro-2-methoxy-N-phenylaniline
CID 171920172
2-methoxy-3-pyrimidin-2-ylphenol
CID 90882512
3-hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one
CID 2755139
2-[2-(2-hydroxyanilino)anilino]phenol
CID 19351988
N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline
CID 171920076
1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea
CID 23765092
7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol
CID 13468240
2-[2-[2-(4-methoxyanilino)phenyl]phenyl]-N-(4-methoxyphenyl)aniline
CID 90151027
(1E,6E)-1,7-bis(3-hydroxy-2-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68550640
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol?
The IUPAC name of 3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol (CID 57011726) is 3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol.
What is the SMILES notation for 3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol?
The canonical SMILES for 3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol is COc1c(O)cccc1Nc1cccc(O)c1OC.
What is the InChIKey of 3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol?
The InChIKey is ZLMOBHXYHRETBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-18-13-9(5-3-7-11(13)16)15-10-6-4-8-12(17)14(10)19-2/h3-8,15-17H,1-2H3.
What are the key properties of 3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol?
3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol has a molecular weight of 261.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol is sourced from PubChem (CID 57011726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).