2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol

C15H17NO4 — CID 114764222

IUPAC2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol
SMILESCOc1ccc(OCCOc2cccc(O)c2N)cc1
InChIInChI=1S/C15H17NO4/c1-18-11-5-7-12(8-6-11)19-9-10-20-14-4-2-3-13(17)15(14)16/h2-8,17H,9-10,16H2,1H3
InChIKeyXMNPDCUCLXLZTR-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.44
Rot. Bonds6

About 2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol

2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol (PubChem CID 114764222) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol.

Molecular Properties

Compound Name2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol
PubChem CID114764222
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol
SMILESCOc1ccc(OCCOc2cccc(O)c2N)cc1
InChIInChI=1S/C15H17NO4/c1-18-11-5-7-12(8-6-11)19-9-10-20-14-4-2-3-13(17)15(14)16/h2-8,17H,9-10,16H2,1H3
InChIKeyXMNPDCUCLXLZTR-UHFFFAOYSA-N
XLogP2.44
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol
CID 114764274
2-amino-3-(3-hydroxypropoxy)phenol
CID 114764312
2-amino-3-(3,3-dimethylbutoxy)phenol
CID 114764205
[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanol
CID 60773075
3-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 6502498
2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine
CID 62047657
2-amino-3-(4,4,4-trifluorobutoxy)phenol
CID 114764271
2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 114320878
2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
CID 153401307
2-[(4-methoxyphenyl)methoxy]-6-methylaniline
CID 43381877
3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 62057318

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol?
The IUPAC name of 2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol (CID 114764222) is 2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol.
What is the SMILES notation for 2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol?
The canonical SMILES for 2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol is COc1ccc(OCCOc2cccc(O)c2N)cc1.
What is the InChIKey of 2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol?
The InChIKey is XMNPDCUCLXLZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-18-11-5-7-12(8-6-11)19-9-10-20-14-4-2-3-13(17)15(14)16/h2-8,17H,9-10,16H2,1H3.
What are the key properties of 2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol?
2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol has a molecular weight of 275.30 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol is sourced from PubChem (CID 114764222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).