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

C18H23FO2 — CID 158095086

IUPAC1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene
SMILESCc1c(OC/C=C/C2CCC2)ccc(OC2CCC2)c1F
InChIInChI=1S/C18H23FO2/c1-13-16(20-12-4-7-14-5-2-6-14)10-11-17(18(13)19)21-15-8-3-9-15/h4,7,10-11,14-15H,2-3,5-6,8-9,12H2,1H3/b7-4+
InChIKeySLQHUXNARIDIBI-QPJJXVBHSA-N
MW290.38 g/mol
LogP4.80
Rot. Bonds6

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

1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene (PubChem CID 158095086) has the molecular formula C18H23FO2 and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene
PubChem CID158095086
Molecular FormulaC18H23FO2
Molecular Weight290.38 g/mol
Exact Mass290.17
IUPAC Name1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene
SMILESCc1c(OC/C=C/C2CCC2)ccc(OC2CCC2)c1F
InChIInChI=1S/C18H23FO2/c1-13-16(20-12-4-7-14-5-2-6-14)10-11-17(18(13)19)21-15-8-3-9-15/h4,7,10-11,14-15H,2-3,5-6,8-9,12H2,1H3/b7-4+
InChIKeySLQHUXNARIDIBI-QPJJXVBHSA-N
XLogP4.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene
CID 161461790
1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene
CID 158177850
1-cyclopentyloxy-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene
CID 148688040
1-[(E)-3-cyclobutylprop-2-enoxy]-4-(cyclopropylmethoxy)-2,3-difluorobenzene
CID 153282272
1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene
CID 147649188
1-(3-cyclobutylpropoxy)-4-[(E)-3-cyclopentylprop-2-enoxy]-2,3-difluorobenzene
CID 153282625
1-[(E)-2-cyclobutylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene
CID 147615512
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-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene
CID 148723204
1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene
CID 152846017
1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene
CID 162141798

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene?
The IUPAC name of 1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene (CID 158095086) is 1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene.
What is the SMILES notation for 1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene?
The canonical SMILES for 1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene is Cc1c(OC/C=C/C2CCC2)ccc(OC2CCC2)c1F.
What is the InChIKey of 1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene?
The InChIKey is SLQHUXNARIDIBI-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H23FO2/c1-13-16(20-12-4-7-14-5-2-6-14)10-11-17(18(13)19)21-15-8-3-9-15/h4,7,10-11,14-15H,2-3,5-6,8-9,12H2,1H3/b7-4+.
What are the key properties of 1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene?
1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene has a molecular weight of 290.38 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene is sourced from PubChem (CID 158095086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).