3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene

C23H20F2O — CID 173362824

IUPAC3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene
SMILESC=CCc1ccc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1OCC
InChIInChI=1S/C23H20F2O/c1-3-5-18-10-15-21(16-6-11-19(24)12-7-16)22(23(18)26-4-2)17-8-13-20(25)14-9-17/h3,6-15H,1,4-5H2,2H3
InChIKeyMWWQZMNNEMHQFR-UHFFFAOYSA-N
MW350.41 g/mol
LogP6.43
Rot. Bonds6

About 3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene

3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene (PubChem CID 173362824) has the molecular formula C23H20F2O and a molecular weight of 350.41 g/mol. Its IUPAC name is 3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene.

Molecular Properties

Compound Name3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene
PubChem CID173362824
Molecular FormulaC23H20F2O
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene
SMILESC=CCc1ccc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1OCC
InChIInChI=1S/C23H20F2O/c1-3-5-18-10-15-21(16-6-11-19(24)12-7-16)22(23(18)26-4-2)17-8-13-20(25)14-9-17/h3,6-15H,1,4-5H2,2H3
InChIKeyMWWQZMNNEMHQFR-UHFFFAOYSA-N
XLogP6.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene
CID 173362831
1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene
CID 173362842
2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene
CID 173362856
N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 17213394
3,4-diethoxy-2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde
CID 23352439
1,2,3-tris(fluoromethoxy)-4-prop-2-enylbenzene
CID 91084505
(4-fluoro-2-prop-2-enylphenyl)methanol
CID 118307113
4-chloro-1-ethoxy-2-prop-2-enylbenzene
CID 91657308
3,5-diethoxy-4-(4-fluorophenyl)-2-iodobenzaldehyde
CID 90423072
1-[4-[2-[4-(4-but-3-enylphenyl)phenyl]ethyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607362
5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-prop-2-enylpyrimidine
CID 20621804
4-ethoxy-2-methoxy-1-prop-2-enylbenzene
CID 24770498

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene?
The IUPAC name of 3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene (CID 173362824) is 3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene.
What is the SMILES notation for 3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene?
The canonical SMILES for 3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene is C=CCc1ccc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1OCC.
What is the InChIKey of 3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene?
The InChIKey is MWWQZMNNEMHQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2O/c1-3-5-18-10-15-21(16-6-11-19(24)12-7-16)22(23(18)26-4-2)17-8-13-20(25)14-9-17/h3,6-15H,1,4-5H2,2H3.
What are the key properties of 3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene?
3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene has a molecular weight of 350.41 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene is sourced from PubChem (CID 173362824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).