1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene

C20H25FO2 — CID 161461790

IUPAC1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene
SMILESCc1c(OC/C=C/C2CCC2)ccc(OC/C=C/C2CC2)c1F
InChIInChI=1S/C20H25FO2/c1-15-18(22-13-3-7-16-5-2-6-16)11-12-19(20(15)21)23-14-4-8-17-9-10-17/h3-4,7-8,11-12,16-17H,2,5-6,9-10,13-14H2,1H3/b7-3+,8-4+
InChIKeyRDFYKLFKQWSNJB-FCXRPNKRSA-N
MW316.42 g/mol
LogP5.21
Rot. Bonds8

About 1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene

1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene (PubChem CID 161461790) has the molecular formula C20H25FO2 and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene
PubChem CID161461790
Molecular FormulaC20H25FO2
Molecular Weight316.42 g/mol
Exact Mass316.18
IUPAC Name1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene
SMILESCc1c(OC/C=C/C2CCC2)ccc(OC/C=C/C2CC2)c1F
InChIInChI=1S/C20H25FO2/c1-15-18(22-13-3-7-16-5-2-6-16)11-12-19(20(15)21)23-14-4-8-17-9-10-17/h3-4,7-8,11-12,16-17H,2,5-6,9-10,13-14H2,1H3/b7-3+,8-4+
InChIKeyRDFYKLFKQWSNJB-FCXRPNKRSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.42
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene 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-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene
CID 158095086
1-[(E)-3-cyclobutylprop-2-enoxy]-4-(cyclopropylmethoxy)-2,3-difluorobenzene
CID 153282272
1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene
CID 148723204
1-(3-cyclobutylpropoxy)-4-[(E)-3-cyclopentylprop-2-enoxy]-2,3-difluorobenzene
CID 153282625
1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene
CID 153282281
1-(cyclobutylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 157197964
1-cyclopentyloxy-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene
CID 148688040
1-ethoxy-2,3-difluoro-4-[(E)-3-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enoxy]benzene
CID 20816615
1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282527
2,3-difluoro-1-[3-(4-pentylcyclohexyl)prop-2-enoxy]-4-propoxybenzene
CID 57031515
1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 159641659
1-ethoxy-2,3-difluoro-4-[[4-(3-methoxyprop-1-enyl)cyclohexyl]methoxy]benzene
CID 67822338

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene?
The IUPAC name of 1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene (CID 161461790) is 1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene.
What is the SMILES notation for 1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene?
The canonical SMILES for 1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene is Cc1c(OC/C=C/C2CCC2)ccc(OC/C=C/C2CC2)c1F.
What is the InChIKey of 1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene?
The InChIKey is RDFYKLFKQWSNJB-FCXRPNKRSA-N. The full InChI is InChI=1S/C20H25FO2/c1-15-18(22-13-3-7-16-5-2-6-16)11-12-19(20(15)21)23-14-4-8-17-9-10-17/h3-4,7-8,11-12,16-17H,2,5-6,9-10,13-14H2,1H3/b7-3+,8-4+.
What are the key properties of 1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene?
1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene has a molecular weight of 316.42 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene is sourced from PubChem (CID 161461790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).