2-(3,5-dimethoxyphenoxy)-3-(dimethylamino)phenol

C16H19NO4 — CID 56978790

IUPAC2-(3,5-dimethoxyphenoxy)-3-(dimethylamino)phenol
SMILESCOc1cc(OC)cc(Oc2c(O)cccc2N(C)C)c1
InChIInChI=1S/C16H19NO4/c1-17(2)14-6-5-7-15(18)16(14)21-13-9-11(19-3)8-12(10-13)20-4/h5-10,18H,1-4H3
InChIKeyYYJFYRNOKKJBIS-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.27
Rot. Bonds5

About 2-(3,5-dimethoxyphenoxy)-3-(dimethylamino)phenol

2-(3,5-dimethoxyphenoxy)-3-(dimethylamino)phenol (PubChem CID 56978790) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenoxy)-3-(dimethylamino)phenol.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenoxy)-3-(dimethylamino)phenol
PubChem CID56978790
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-(3,5-dimethoxyphenoxy)-3-(dimethylamino)phenol
SMILESCOc1cc(OC)cc(Oc2c(O)cccc2N(C)C)c1
InChIInChI=1S/C16H19NO4/c1-17(2)14-6-5-7-15(18)16(14)21-13-9-11(19-3)8-12(10-13)20-4/h5-10,18H,1-4H3
InChIKeyYYJFYRNOKKJBIS-UHFFFAOYSA-N
XLogP3.27
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenoxy)-3-(dimethylamino)phenol?
The IUPAC name of 2-(3,5-dimethoxyphenoxy)-3-(dimethylamino)phenol (CID 56978790) is 2-(3,5-dimethoxyphenoxy)-3-(dimethylamino)phenol.
What is the SMILES notation for 2-(3,5-dimethoxyphenoxy)-3-(dimethylamino)phenol?
The canonical SMILES for 2-(3,5-dimethoxyphenoxy)-3-(dimethylamino)phenol is COc1cc(OC)cc(Oc2c(O)cccc2N(C)C)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenoxy)-3-(dimethylamino)phenol?
The InChIKey is YYJFYRNOKKJBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-17(2)14-6-5-7-15(18)16(14)21-13-9-11(19-3)8-12(10-13)20-4/h5-10,18H,1-4H3.
What are the key properties of 2-(3,5-dimethoxyphenoxy)-3-(dimethylamino)phenol?
2-(3,5-dimethoxyphenoxy)-3-(dimethylamino)phenol has a molecular weight of 289.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenoxy)-3-(dimethylamino)phenol is sourced from PubChem (CID 56978790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).