2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol

C18H19NO2 — CID 70357054

IUPAC2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol
SMILESC=CCc1cccc(Nc2cccc(CC=C)c2O)c1O
InChIInChI=1S/C18H19NO2/c1-3-7-13-9-5-11-15(17(13)20)19-16-12-6-10-14(8-4-2)18(16)21/h3-6,9-12,19-21H,1-2,7-8H2
InChIKeyJAQXBYCUARZHID-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.30
Rot. Bonds6

About 2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol

2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol (PubChem CID 70357054) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol
PubChem CID70357054
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol
SMILESC=CCc1cccc(Nc2cccc(CC=C)c2O)c1O
InChIInChI=1S/C18H19NO2/c1-3-7-13-9-5-11-15(17(13)20)19-16-12-6-10-14(8-4-2)18(16)21/h3-6,9-12,19-21H,1-2,7-8H2
InChIKeyJAQXBYCUARZHID-UHFFFAOYSA-N
XLogP4.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.30
H-Bond Donors ≤ 53
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 2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol?
The IUPAC name of 2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol (CID 70357054) is 2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol.
What is the SMILES notation for 2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol?
The canonical SMILES for 2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol is C=CCc1cccc(Nc2cccc(CC=C)c2O)c1O.
What is the InChIKey of 2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol?
The InChIKey is JAQXBYCUARZHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-7-13-9-5-11-15(17(13)20)19-16-12-6-10-14(8-4-2)18(16)21/h3-6,9-12,19-21H,1-2,7-8H2.
What are the key properties of 2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol?
2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol has a molecular weight of 281.36 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol is sourced from PubChem (CID 70357054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).