4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol

C21H19NO2 — CID 129137266

IUPAC4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol
SMILESCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(N)cc1
InChIInChI=1S/C21H19NO2/c1-14(15-2-8-18(22)9-3-15)21(16-4-10-19(23)11-5-16)17-6-12-20(24)13-7-17/h2-13,23-24H,22H2,1H3
InChIKeyWIAPZXQYCVTONE-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.66
Rot. Bonds3

About 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol

4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol (PubChem CID 129137266) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol
PubChem CID129137266
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol
SMILESCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(N)cc1
InChIInChI=1S/C21H19NO2/c1-14(15-2-8-18(22)9-3-15)21(16-4-10-19(23)11-5-16)17-6-12-20(24)13-7-17/h2-13,23-24H,22H2,1H3
InChIKeyWIAPZXQYCVTONE-UHFFFAOYSA-N
XLogP4.66
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol?
The IUPAC name of 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol (CID 129137266) is 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol.
What is the SMILES notation for 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol?
The canonical SMILES for 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol is CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(N)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol?
The InChIKey is WIAPZXQYCVTONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-14(15-2-8-18(22)9-3-15)21(16-4-10-19(23)11-5-16)17-6-12-20(24)13-7-17/h2-13,23-24H,22H2,1H3.
What are the key properties of 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol?
4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol has a molecular weight of 317.39 g/mol, XLogP of 4.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol is sourced from PubChem (CID 129137266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).