2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol

C20H24O2 — CID 121474400

IUPAC2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol
SMILESC=Cc1ccc(OC(C)(C)c2cccc(C(C)(C)O)c2)cc1
InChIInChI=1S/C20H24O2/c1-6-15-10-12-18(13-11-15)22-20(4,5)17-9-7-8-16(14-17)19(2,3)21/h6-14,21H,1H2,2-5H3
InChIKeyKWRZITITKIVZGW-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.87
Rot. Bonds5

About 2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol

2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol (PubChem CID 121474400) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol
PubChem CID121474400
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol
SMILESC=Cc1ccc(OC(C)(C)c2cccc(C(C)(C)O)c2)cc1
InChIInChI=1S/C20H24O2/c1-6-15-10-12-18(13-11-15)22-20(4,5)17-9-7-8-16(14-17)19(2,3)21/h6-14,21H,1H2,2-5H3
InChIKeyKWRZITITKIVZGW-UHFFFAOYSA-N
XLogP4.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol 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 2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol (CID 121474400) is 2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol is C=Cc1ccc(OC(C)(C)c2cccc(C(C)(C)O)c2)cc1.
What is the InChIKey of 2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol?
The InChIKey is KWRZITITKIVZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-6-15-10-12-18(13-11-15)22-20(4,5)17-9-7-8-16(14-17)19(2,3)21/h6-14,21H,1H2,2-5H3.
What are the key properties of 2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol?
2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol is sourced from PubChem (CID 121474400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).