4-(2-amino-4-methoxyphenoxy)phenol

C13H13NO3 — CID 22117697

IUPAC4-(2-amino-4-methoxyphenoxy)phenol
SMILESCOc1ccc(Oc2ccc(O)cc2)c(N)c1
InChIInChI=1S/C13H13NO3/c1-16-11-6-7-13(12(14)8-11)17-10-4-2-9(15)3-5-10/h2-8,15H,14H2,1H3
InChIKeyDVOKVLICYKGCAQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.78
Rot. Bonds3

About 4-(2-amino-4-methoxyphenoxy)phenol

4-(2-amino-4-methoxyphenoxy)phenol (PubChem CID 22117697) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(2-amino-4-methoxyphenoxy)phenol.

Molecular Properties

Compound Name4-(2-amino-4-methoxyphenoxy)phenol
PubChem CID22117697
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-(2-amino-4-methoxyphenoxy)phenol
SMILESCOc1ccc(Oc2ccc(O)cc2)c(N)c1
InChIInChI=1S/C13H13NO3/c1-16-11-6-7-13(12(14)8-11)17-10-4-2-9(15)3-5-10/h2-8,15H,14H2,1H3
InChIKeyDVOKVLICYKGCAQ-UHFFFAOYSA-N
XLogP2.78
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-diaminophenoxy)phenol
CID 19971372
2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol
CID 107708398
3,4-bis(4-methoxyphenoxy)phenol
CID 139941919
3-amino-4-(4-fluorophenoxy)phenol
CID 14722260
5-bromo-2-(4-methoxyphenoxy)aniline
CID 26190467
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
methane;4-methoxyphenol
CID 159494332
5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375214
[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol
CID 107742492
5-methoxy-2-(3-phenylmethoxyphenoxy)aniline
CID 166611417
2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline
CID 102980202
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methoxyphenoxy)phenol?
The IUPAC name of 4-(2-amino-4-methoxyphenoxy)phenol (CID 22117697) is 4-(2-amino-4-methoxyphenoxy)phenol.
What is the SMILES notation for 4-(2-amino-4-methoxyphenoxy)phenol?
The canonical SMILES for 4-(2-amino-4-methoxyphenoxy)phenol is COc1ccc(Oc2ccc(O)cc2)c(N)c1.
What is the InChIKey of 4-(2-amino-4-methoxyphenoxy)phenol?
The InChIKey is DVOKVLICYKGCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-11-6-7-13(12(14)8-11)17-10-4-2-9(15)3-5-10/h2-8,15H,14H2,1H3.
What are the key properties of 4-(2-amino-4-methoxyphenoxy)phenol?
4-(2-amino-4-methoxyphenoxy)phenol has a molecular weight of 231.25 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methoxyphenoxy)phenol is sourced from PubChem (CID 22117697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).