3-amino-2-(3,5-dimethoxyphenyl)phenol

C14H15NO3 — CID 22173860

IUPAC3-amino-2-(3,5-dimethoxyphenyl)phenol
SMILESCOc1cc(OC)cc(-c2c(N)cccc2O)c1
InChIInChI=1S/C14H15NO3/c1-17-10-6-9(7-11(8-10)18-2)14-12(15)4-3-5-13(14)16/h3-8,16H,15H2,1-2H3
InChIKeySVCLCEPBRGJSNB-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.66
Rot. Bonds3

About 3-amino-2-(3,5-dimethoxyphenyl)phenol

3-amino-2-(3,5-dimethoxyphenyl)phenol (PubChem CID 22173860) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-amino-2-(3,5-dimethoxyphenyl)phenol.

Molecular Properties

Compound Name3-amino-2-(3,5-dimethoxyphenyl)phenol
PubChem CID22173860
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-amino-2-(3,5-dimethoxyphenyl)phenol
SMILESCOc1cc(OC)cc(-c2c(N)cccc2O)c1
InChIInChI=1S/C14H15NO3/c1-17-10-6-9(7-11(8-10)18-2)14-12(15)4-3-5-13(14)16/h3-8,16H,15H2,1-2H3
InChIKeySVCLCEPBRGJSNB-UHFFFAOYSA-N
XLogP2.66
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,5-dimethoxyphenyl)phenol?
The IUPAC name of 3-amino-2-(3,5-dimethoxyphenyl)phenol (CID 22173860) is 3-amino-2-(3,5-dimethoxyphenyl)phenol.
What is the SMILES notation for 3-amino-2-(3,5-dimethoxyphenyl)phenol?
The canonical SMILES for 3-amino-2-(3,5-dimethoxyphenyl)phenol is COc1cc(OC)cc(-c2c(N)cccc2O)c1.
What is the InChIKey of 3-amino-2-(3,5-dimethoxyphenyl)phenol?
The InChIKey is SVCLCEPBRGJSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-17-10-6-9(7-11(8-10)18-2)14-12(15)4-3-5-13(14)16/h3-8,16H,15H2,1-2H3.
What are the key properties of 3-amino-2-(3,5-dimethoxyphenyl)phenol?
3-amino-2-(3,5-dimethoxyphenyl)phenol has a molecular weight of 245.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,5-dimethoxyphenyl)phenol is sourced from PubChem (CID 22173860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).