2-amino-6-(3-amino-4-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol

C18H20N2O2 — CID 153250442

IUPAC2-amino-6-(3-amino-4-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1cc(N)c(O)c(-c2cc(N)c(O)c(CC=C)c2)c1
InChIInChI=1S/C18H20N2O2/c1-3-5-11-7-14(18(22)15(19)8-11)13-9-12(6-4-2)17(21)16(20)10-13/h3-4,7-10,21-22H,1-2,5-6,19-20H2
InChIKeyWTFIXABZINMWCH-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.39
Rot. Bonds5

About 2-amino-6-(3-amino-4-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol

2-amino-6-(3-amino-4-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol (PubChem CID 153250442) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-amino-6-(3-amino-4-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-amino-6-(3-amino-4-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
PubChem CID153250442
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-amino-6-(3-amino-4-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1cc(N)c(O)c(-c2cc(N)c(O)c(CC=C)c2)c1
InChIInChI=1S/C18H20N2O2/c1-3-5-11-7-14(18(22)15(19)8-11)13-9-12(6-4-2)17(21)16(20)10-13/h3-4,7-10,21-22H,1-2,5-6,19-20H2
InChIKeyWTFIXABZINMWCH-UHFFFAOYSA-N
XLogP3.39
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-amino-6-(3-amino-4-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?
The IUPAC name of 2-amino-6-(3-amino-4-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol (CID 153250442) is 2-amino-6-(3-amino-4-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol.
What is the SMILES notation for 2-amino-6-(3-amino-4-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?
The canonical SMILES for 2-amino-6-(3-amino-4-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol is C=CCc1cc(N)c(O)c(-c2cc(N)c(O)c(CC=C)c2)c1.
What is the InChIKey of 2-amino-6-(3-amino-4-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?
The InChIKey is WTFIXABZINMWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-5-11-7-14(18(22)15(19)8-11)13-9-12(6-4-2)17(21)16(20)10-13/h3-4,7-10,21-22H,1-2,5-6,19-20H2.
What are the key properties of 2-amino-6-(3-amino-4-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?
2-amino-6-(3-amino-4-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol has a molecular weight of 296.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-amino-4-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol is sourced from PubChem (CID 153250442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).