2-amino-4-(2-methoxy-5-prop-2-enylphenyl)-6-prop-2-enylphenol

C19H21NO2 — CID 122189654

IUPAC2-amino-4-(2-methoxy-5-prop-2-enylphenyl)-6-prop-2-enylphenol
SMILESC=CCc1ccc(OC)c(-c2cc(N)c(O)c(CC=C)c2)c1
InChIInChI=1S/C19H21NO2/c1-4-6-13-8-9-18(22-3)16(10-13)15-11-14(7-5-2)19(21)17(20)12-15/h4-5,8-12,21H,1-2,6-7,20H2,3H3
InChIKeyUYYJIRFNGXDWLQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.11
Rot. Bonds6

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

2-amino-4-(2-methoxy-5-prop-2-enylphenyl)-6-prop-2-enylphenol (PubChem CID 122189654) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-amino-4-(2-methoxy-5-prop-2-enylphenyl)-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-amino-4-(2-methoxy-5-prop-2-enylphenyl)-6-prop-2-enylphenol
PubChem CID122189654
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-amino-4-(2-methoxy-5-prop-2-enylphenyl)-6-prop-2-enylphenol
SMILESC=CCc1ccc(OC)c(-c2cc(N)c(O)c(CC=C)c2)c1
InChIInChI=1S/C19H21NO2/c1-4-6-13-8-9-18(22-3)16(10-13)15-11-14(7-5-2)19(21)17(20)12-15/h4-5,8-12,21H,1-2,6-7,20H2,3H3
InChIKeyUYYJIRFNGXDWLQ-UHFFFAOYSA-N
XLogP4.11
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-4-(2-methoxy-5-prop-2-enylphenyl)-6-prop-2-enylphenol?
The IUPAC name of 2-amino-4-(2-methoxy-5-prop-2-enylphenyl)-6-prop-2-enylphenol (CID 122189654) is 2-amino-4-(2-methoxy-5-prop-2-enylphenyl)-6-prop-2-enylphenol.
What is the SMILES notation for 2-amino-4-(2-methoxy-5-prop-2-enylphenyl)-6-prop-2-enylphenol?
The canonical SMILES for 2-amino-4-(2-methoxy-5-prop-2-enylphenyl)-6-prop-2-enylphenol is C=CCc1ccc(OC)c(-c2cc(N)c(O)c(CC=C)c2)c1.
What is the InChIKey of 2-amino-4-(2-methoxy-5-prop-2-enylphenyl)-6-prop-2-enylphenol?
The InChIKey is UYYJIRFNGXDWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-6-13-8-9-18(22-3)16(10-13)15-11-14(7-5-2)19(21)17(20)12-15/h4-5,8-12,21H,1-2,6-7,20H2,3H3.
What are the key properties of 2-amino-4-(2-methoxy-5-prop-2-enylphenyl)-6-prop-2-enylphenol?
2-amino-4-(2-methoxy-5-prop-2-enylphenyl)-6-prop-2-enylphenol has a molecular weight of 295.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxy-5-prop-2-enylphenyl)-6-prop-2-enylphenol is sourced from PubChem (CID 122189654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).