4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol

C23H28O — CID 166781663

IUPAC4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol
SMILESC=Cc1ccc(CC(Cc2ccc(C=C)cc2)C(CC)CO)cc1
InChIInChI=1S/C23H28O/c1-4-18-7-11-20(12-8-18)15-23(22(6-3)17-24)16-21-13-9-19(5-2)10-14-21/h4-5,7-14,22-24H,1-2,6,15-17H2,3H3
InChIKeyKCMHWDNIRPSCGV-UHFFFAOYSA-N
MW320.48 g/mol
LogP5.39
Rot. Bonds9

About 4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol

4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol (PubChem CID 166781663) has the molecular formula C23H28O and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol
PubChem CID166781663
Molecular FormulaC23H28O
Molecular Weight320.48 g/mol
Exact Mass320.21
IUPAC Name4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol
SMILESC=Cc1ccc(CC(Cc2ccc(C=C)cc2)C(CC)CO)cc1
InChIInChI=1S/C23H28O/c1-4-18-7-11-20(12-8-18)15-23(22(6-3)17-24)16-21-13-9-19(5-2)10-14-21/h4-5,7-14,22-24H,1-2,6,15-17H2,3H3
InChIKeyKCMHWDNIRPSCGV-UHFFFAOYSA-N
XLogP5.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol 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

1-ethenyl-4-(2-methylbutyl)benzene
CID 22475803
2-(4-ethenylphenyl)ethane-1,1-diol
CID 166912920
1-ethenyl-4-(2-phenylbutyl)benzene
CID 175031243
1-ethenyl-4-(2-methylpropyl)benzene;propanal
CID 157417847
1-(4-ethenylphenyl)propan-1-ol
CID 57179237
2-[(4-ethenylphenyl)methoxy]propan-1-ol
CID 21035602
azane;1-ethenyl-4-(3-ethylpentyl)benzene
CID 175164173
(2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol
CID 101210967
5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol
CID 68974279
1-chloro-4-ethenylbenzene;ethanol
CID 175389019
N-[(4-ethenylphenyl)methyl]butan-2-amine
CID 90317811
(4-ethenylphenyl)methyl-triethylazanium bromide
CID 11437971

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol (CID 166781663) is 4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol is C=Cc1ccc(CC(Cc2ccc(C=C)cc2)C(CC)CO)cc1.
What is the InChIKey of 4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol?
The InChIKey is KCMHWDNIRPSCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O/c1-4-18-7-11-20(12-8-18)15-23(22(6-3)17-24)16-21-13-9-19(5-2)10-14-21/h4-5,7-14,22-24H,1-2,6,15-17H2,3H3.
What are the key properties of 4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol?
4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol has a molecular weight of 320.48 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 166781663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).