4-[3-amino-1-(4-hydroxyphenyl)-2-phenylprop-1-enyl]phenol

C21H19NO2 — CID 15123164

IUPAC4-[3-amino-1-(4-hydroxyphenyl)-2-phenylprop-1-enyl]phenol
SMILESNCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C21H19NO2/c22-14-20(15-4-2-1-3-5-15)21(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h1-13,23-24H,14,22H2
InChIKeySRNABOOMFAKPON-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.02
Rot. Bonds4

About 4-[3-amino-1-(4-hydroxyphenyl)-2-phenylprop-1-enyl]phenol

4-[3-amino-1-(4-hydroxyphenyl)-2-phenylprop-1-enyl]phenol (PubChem CID 15123164) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[3-amino-1-(4-hydroxyphenyl)-2-phenylprop-1-enyl]phenol.

Molecular Properties

Compound Name4-[3-amino-1-(4-hydroxyphenyl)-2-phenylprop-1-enyl]phenol
PubChem CID15123164
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name4-[3-amino-1-(4-hydroxyphenyl)-2-phenylprop-1-enyl]phenol
SMILESNCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C21H19NO2/c22-14-20(15-4-2-1-3-5-15)21(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h1-13,23-24H,14,22H2
InChIKeySRNABOOMFAKPON-UHFFFAOYSA-N
XLogP4.02
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-1-(4-hydroxyphenyl)-2-phenylprop-1-enyl]phenol?
The IUPAC name of 4-[3-amino-1-(4-hydroxyphenyl)-2-phenylprop-1-enyl]phenol (CID 15123164) is 4-[3-amino-1-(4-hydroxyphenyl)-2-phenylprop-1-enyl]phenol.
What is the SMILES notation for 4-[3-amino-1-(4-hydroxyphenyl)-2-phenylprop-1-enyl]phenol?
The canonical SMILES for 4-[3-amino-1-(4-hydroxyphenyl)-2-phenylprop-1-enyl]phenol is NCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 4-[3-amino-1-(4-hydroxyphenyl)-2-phenylprop-1-enyl]phenol?
The InChIKey is SRNABOOMFAKPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c22-14-20(15-4-2-1-3-5-15)21(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h1-13,23-24H,14,22H2.
What are the key properties of 4-[3-amino-1-(4-hydroxyphenyl)-2-phenylprop-1-enyl]phenol?
4-[3-amino-1-(4-hydroxyphenyl)-2-phenylprop-1-enyl]phenol has a molecular weight of 317.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-1-(4-hydroxyphenyl)-2-phenylprop-1-enyl]phenol is sourced from PubChem (CID 15123164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).