4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol

C23H22O2 — CID 11232780

IUPAC4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol
SMILESCC(C)C(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C23H22O2/c1-16(2)22(17-6-4-3-5-7-17)23(18-8-12-20(24)13-9-18)19-10-14-21(25)15-11-19/h3-16,24-25H,1-2H3
InChIKeyMHJFEEPYTDUPCC-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.71
Rot. Bonds4

About 4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol

4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol (PubChem CID 11232780) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol
PubChem CID11232780
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol
SMILESCC(C)C(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C23H22O2/c1-16(2)22(17-6-4-3-5-7-17)23(18-8-12-20(24)13-9-18)19-10-14-21(25)15-11-19/h3-16,24-25H,1-2H3
InChIKeyMHJFEEPYTDUPCC-UHFFFAOYSA-N
XLogP5.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol (CID 11232780) is 4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol is CC(C)C(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol?
The InChIKey is MHJFEEPYTDUPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c1-16(2)22(17-6-4-3-5-7-17)23(18-8-12-20(24)13-9-18)19-10-14-21(25)15-11-19/h3-16,24-25H,1-2H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol?
4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol has a molecular weight of 330.43 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol is sourced from PubChem (CID 11232780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).