1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene

C18H23FO — CID 159641659

IUPAC1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene
SMILESCc1c(C/C=C/C2CC2)ccc(OCCC2CC2)c1F
InChIInChI=1S/C18H23FO/c1-13-16(4-2-3-14-5-6-14)9-10-17(18(13)19)20-12-11-15-7-8-15/h2-3,9-10,14-15H,4-8,11-12H2,1H3/b3-2+
InChIKeyKYOZOWRGBCJSLD-NSCUHMNNSA-N
MW274.38 g/mol
LogP4.82
Rot. Bonds7

About 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene

1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene (PubChem CID 159641659) has the molecular formula C18H23FO and a molecular weight of 274.38 g/mol. Its IUPAC name is 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene
PubChem CID159641659
Molecular FormulaC18H23FO
Molecular Weight274.38 g/mol
Exact Mass274.17
IUPAC Name1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene
SMILESCc1c(C/C=C/C2CC2)ccc(OCCC2CC2)c1F
InChIInChI=1S/C18H23FO/c1-13-16(4-2-3-14-5-6-14)9-10-17(18(13)19)20-12-11-15-7-8-15/h2-3,9-10,14-15H,4-8,11-12H2,1H3/b3-2+
InChIKeyKYOZOWRGBCJSLD-NSCUHMNNSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.82
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

1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene
CID 153282371
1-(cyclobutylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 157197964
1-(2-cyclopentylethoxy)-4-(cyclopentylmethyl)-2-fluoro-3-methylbenzene;1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-2-fluoro-3-methylbenzene;1-(cyclopentylmethyl)-4-cyclopentyloxy-3-fluoro-2-methylbenzene;1-[(E)-4-cyclopropylbut-3-enyl]-4-(2-cyclopropylethoxy)-3-fluoro-2-methylbenzene;1-[(E)-4-cyclopropylbut-3-enyl]-4-(cyclopropylmethoxy)-3-fluoro-2-methylbenzene;1-[(E)-2-cyclopropylethenyl]-4-(cyclopropylmethoxy)-3-fluoro-2-methylbenzene;1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-3-fluoro-2-methylbenzene;1-(cyclopropylmethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene;1-cyclopropyloxy-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 159453388
1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene
CID 153282281
1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene
CID 157180852
2,3-difluoro-1-[3-(4-pentylcyclohexyl)prop-2-enoxy]-4-propoxybenzene
CID 57031515
1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene
CID 161461790
1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene
CID 158334858
1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282527
1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene;1-(cyclobutylmethoxy)-4-[(E)-2-cyclopentylethenyl]-2,3-difluorobenzene;1-(cyclobutylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-2,3-difluorobenzene;1-cyclobutyloxy-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene;1-cyclobutyloxy-4-[(E)-2-cyclopentylethenyl]-2,3-difluorobenzene;1-cyclobutyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-2,3-difluorobenzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene;1-[(E)-3-cyclopentylprop-2-enyl]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene
CID 161240054
1-(cyclobutylmethoxy)-4-[(E)-3-cyclobutylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene
CID 161037979
1-ethoxy-2,3-difluoro-4-[2-[4-[4-[4-(3-fluoroprop-1-enyl)cyclohexyl]phenyl]cyclohexyl]ethyl]benzene
CID 123495077

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene?
The IUPAC name of 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene (CID 159641659) is 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene.
What is the SMILES notation for 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene?
The canonical SMILES for 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene is Cc1c(C/C=C/C2CC2)ccc(OCCC2CC2)c1F.
What is the InChIKey of 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene?
The InChIKey is KYOZOWRGBCJSLD-NSCUHMNNSA-N. The full InChI is InChI=1S/C18H23FO/c1-13-16(4-2-3-14-5-6-14)9-10-17(18(13)19)20-12-11-15-7-8-15/h2-3,9-10,14-15H,4-8,11-12H2,1H3/b3-2+.
What are the key properties of 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene?
1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene has a molecular weight of 274.38 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene is sourced from PubChem (CID 159641659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).