4-[2,4,6-tris(prop-2-enyl)phenyl]phenol

C21H22O — CID 70152198

IUPAC4-[2,4,6-tris(prop-2-enyl)phenyl]phenol
SMILESC=CCc1cc(CC=C)c(-c2ccc(O)cc2)c(CC=C)c1
InChIInChI=1S/C21H22O/c1-4-7-16-14-18(8-5-2)21(19(15-16)9-6-3)17-10-12-20(22)13-11-17/h4-6,10-15,22H,1-3,7-9H2
InChIKeyFJHONXXZMZKHKR-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.24
Rot. Bonds7

About 4-[2,4,6-tris(prop-2-enyl)phenyl]phenol

4-[2,4,6-tris(prop-2-enyl)phenyl]phenol (PubChem CID 70152198) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[2,4,6-tris(prop-2-enyl)phenyl]phenol.

Molecular Properties

Compound Name4-[2,4,6-tris(prop-2-enyl)phenyl]phenol
PubChem CID70152198
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name4-[2,4,6-tris(prop-2-enyl)phenyl]phenol
SMILESC=CCc1cc(CC=C)c(-c2ccc(O)cc2)c(CC=C)c1
InChIInChI=1S/C21H22O/c1-4-7-16-14-18(8-5-2)21(19(15-16)9-6-3)17-10-12-20(22)13-11-17/h4-6,10-15,22H,1-3,7-9H2
InChIKeyFJHONXXZMZKHKR-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[2,4,6-tris(prop-2-enyl)phenyl]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-[2,4,6-tris(prop-2-enyl)phenyl]phenol?
The IUPAC name of 4-[2,4,6-tris(prop-2-enyl)phenyl]phenol (CID 70152198) is 4-[2,4,6-tris(prop-2-enyl)phenyl]phenol.
What is the SMILES notation for 4-[2,4,6-tris(prop-2-enyl)phenyl]phenol?
The canonical SMILES for 4-[2,4,6-tris(prop-2-enyl)phenyl]phenol is C=CCc1cc(CC=C)c(-c2ccc(O)cc2)c(CC=C)c1.
What is the InChIKey of 4-[2,4,6-tris(prop-2-enyl)phenyl]phenol?
The InChIKey is FJHONXXZMZKHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O/c1-4-7-16-14-18(8-5-2)21(19(15-16)9-6-3)17-10-12-20(22)13-11-17/h4-6,10-15,22H,1-3,7-9H2.
What are the key properties of 4-[2,4,6-tris(prop-2-enyl)phenyl]phenol?
4-[2,4,6-tris(prop-2-enyl)phenyl]phenol has a molecular weight of 290.41 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4,6-tris(prop-2-enyl)phenyl]phenol is sourced from PubChem (CID 70152198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).