3-phenoxy-2-(prop-2-enylamino)phenol

C15H15NO2 — CID 66726064

IUPAC3-phenoxy-2-(prop-2-enylamino)phenol
SMILESC=CCNc1c(O)cccc1Oc1ccccc1
InChIInChI=1S/C15H15NO2/c1-2-11-16-15-13(17)9-6-10-14(15)18-12-7-4-3-5-8-12/h2-10,16-17H,1,11H2
InChIKeyXIWXAPYOYGFDFU-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.78
Rot. Bonds5

About 3-phenoxy-2-(prop-2-enylamino)phenol

3-phenoxy-2-(prop-2-enylamino)phenol (PubChem CID 66726064) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-phenoxy-2-(prop-2-enylamino)phenol.

Molecular Properties

Compound Name3-phenoxy-2-(prop-2-enylamino)phenol
PubChem CID66726064
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-phenoxy-2-(prop-2-enylamino)phenol
SMILESC=CCNc1c(O)cccc1Oc1ccccc1
InChIInChI=1S/C15H15NO2/c1-2-11-16-15-13(17)9-6-10-14(15)18-12-7-4-3-5-8-12/h2-10,16-17H,1,11H2
InChIKeyXIWXAPYOYGFDFU-UHFFFAOYSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-2-(prop-2-enylamino)phenol?
The IUPAC name of 3-phenoxy-2-(prop-2-enylamino)phenol (CID 66726064) is 3-phenoxy-2-(prop-2-enylamino)phenol.
What is the SMILES notation for 3-phenoxy-2-(prop-2-enylamino)phenol?
The canonical SMILES for 3-phenoxy-2-(prop-2-enylamino)phenol is C=CCNc1c(O)cccc1Oc1ccccc1.
What is the InChIKey of 3-phenoxy-2-(prop-2-enylamino)phenol?
The InChIKey is XIWXAPYOYGFDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-11-16-15-13(17)9-6-10-14(15)18-12-7-4-3-5-8-12/h2-10,16-17H,1,11H2.
What are the key properties of 3-phenoxy-2-(prop-2-enylamino)phenol?
3-phenoxy-2-(prop-2-enylamino)phenol has a molecular weight of 241.29 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-2-(prop-2-enylamino)phenol is sourced from PubChem (CID 66726064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).