4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol

C22H20O3 — CID 10246180

IUPAC4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol
SMILESCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C22H20O3/c1-2-21(15-3-9-18(23)10-4-15)22(16-5-11-19(24)12-6-16)17-7-13-20(25)14-8-17/h3-14,23-25H,2H2,1H3
InChIKeyCUXRGANZEHBODX-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.17
Rot. Bonds4

About 4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol

4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol (PubChem CID 10246180) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol.

Molecular Properties

Compound Name4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol
PubChem CID10246180
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol
SMILESCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C22H20O3/c1-2-21(15-3-9-18(23)10-4-15)22(16-5-11-19(24)12-6-16)17-7-13-20(25)14-8-17/h3-14,23-25H,2H2,1H3
InChIKeyCUXRGANZEHBODX-UHFFFAOYSA-N
XLogP5.17
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
Diethylstilbestrol
CID 448537
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
4-tert-Butylphenol
CID 7393
Tyrosol
CID 10393
Magnolol
CID 72300
Hexestrol
CID 192197
4-Nonylphenol
CID 1752

Frequently Asked Questions

What is the IUPAC name of 4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol?
The IUPAC name of 4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol (CID 10246180) is 4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol.
What is the SMILES notation for 4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol?
The canonical SMILES for 4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol is CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol?
The InChIKey is CUXRGANZEHBODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-2-21(15-3-9-18(23)10-4-15)22(16-5-11-19(24)12-6-16)17-7-13-20(25)14-8-17/h3-14,23-25H,2H2,1H3.
What are the key properties of 4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol?
4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol has a molecular weight of 332.40 g/mol, XLogP of 5.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol is sourced from PubChem (CID 10246180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).