5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane

C22H28F2O3 — CID 143889630

IUPAC5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane
SMILESC=Cc1ccc(C2CCC(OC/C(CC)=C(F)/C(F)=C(\C)OC)OC2)cc1
InChIInChI=1S/C22H28F2O3/c1-5-16-7-9-18(10-8-16)19-11-12-20(27-14-19)26-13-17(6-2)22(24)21(23)15(3)25-4/h5,7-10,19-20H,1,6,11-14H2,2-4H3/b21-15-,22-17-
InChIKeyYUAKBRNAFHJVRL-MTZWUWKKSA-N
MW378.46 g/mol
LogP6.05
Rot. Bonds8

About 5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane

5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane (PubChem CID 143889630) has the molecular formula C22H28F2O3 and a molecular weight of 378.46 g/mol. Its IUPAC name is 5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane.

Molecular Properties

Compound Name5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane
PubChem CID143889630
Molecular FormulaC22H28F2O3
Molecular Weight378.46 g/mol
Exact Mass378.20
IUPAC Name5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane
SMILESC=Cc1ccc(C2CCC(OC/C(CC)=C(F)/C(F)=C(\C)OC)OC2)cc1
InChIInChI=1S/C22H28F2O3/c1-5-16-7-9-18(10-8-16)19-11-12-20(27-14-19)26-13-17(6-2)22(24)21(23)15(3)25-4/h5,7-10,19-20H,1,6,11-14H2,2-4H3/b21-15-,22-17-
InChIKeyYUAKBRNAFHJVRL-MTZWUWKKSA-N
XLogP6.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.46
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane 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

2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]-5-(4-propylcyclohexyl)oxane;propane
CID 143889653
2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]-5-(4-pentylcyclohexyl)oxane;propane
CID 143889327
2-(4-butylphenyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane
CID 143889711
5-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]phenyl]-2-ethyloxane
CID 143889577
2-(4-ethenylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane
CID 143889342
2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane
CID 143889501
1-cyclobutyl-4-ethenylbenzene;pentane
CID 144867971
1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane
CID 145009719
5-(4-ethenylphenyl)-2-[2-[4-(fluoromethyl)cyclohexyl]-1,3-dioxan-5-yl]-1,3-dioxane
CID 88978797
1-ethenyl-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene
CID 20645937
1-cyclohexyl-4-ethenylbenzene
CID 21225537
(4-ethenylphenyl)cyclooctane
CID 19849973

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane?
The IUPAC name of 5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane (CID 143889630) is 5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane.
What is the SMILES notation for 5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane?
The canonical SMILES for 5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane is C=Cc1ccc(C2CCC(OC/C(CC)=C(F)/C(F)=C(\C)OC)OC2)cc1.
What is the InChIKey of 5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane?
The InChIKey is YUAKBRNAFHJVRL-MTZWUWKKSA-N. The full InChI is InChI=1S/C22H28F2O3/c1-5-16-7-9-18(10-8-16)19-11-12-20(27-14-19)26-13-17(6-2)22(24)21(23)15(3)25-4/h5,7-10,19-20H,1,6,11-14H2,2-4H3/b21-15-,22-17-.
What are the key properties of 5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane?
5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane has a molecular weight of 378.46 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane is sourced from PubChem (CID 143889630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).