1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene

C19H27FO2 — CID 158334858

IUPAC1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene
SMILESCc1c(OCC2CCC2)ccc(OCCC2CCCC2)c1F
InChIInChI=1S/C19H27FO2/c1-14-17(22-13-16-7-4-8-16)9-10-18(19(14)20)21-12-11-15-5-2-3-6-15/h9-10,15-16H,2-8,11-13H2,1H3
InChIKeyKMJBBQIONLNGON-UHFFFAOYSA-N
MW306.42 g/mol
LogP5.27
Rot. Bonds7

About 1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene

1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene (PubChem CID 158334858) has the molecular formula C19H27FO2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene
PubChem CID158334858
Molecular FormulaC19H27FO2
Molecular Weight306.42 g/mol
Exact Mass306.20
IUPAC Name1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene
SMILESCc1c(OCC2CCC2)ccc(OCCC2CCCC2)c1F
InChIInChI=1S/C19H27FO2/c1-14-17(22-13-16-7-4-8-16)9-10-18(19(14)20)21-12-11-15-5-2-3-6-15/h9-10,15-16H,2-8,11-13H2,1H3
InChIKeyKMJBBQIONLNGON-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.42
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282615
1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene
CID 159362003
1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282322
1-(cyclobutylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 157197964
2-(cyclopentylmethoxy)-7-ethoxy-1,8-difluorophenanthrene
CID 177267198
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene
CID 162061698
1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene
CID 114276820
2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene
CID 134473145
3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran
CID 134454098
1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282425
1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 159641659

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene?
The IUPAC name of 1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene (CID 158334858) is 1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene.
What is the SMILES notation for 1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene?
The canonical SMILES for 1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene is Cc1c(OCC2CCC2)ccc(OCCC2CCCC2)c1F.
What is the InChIKey of 1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene?
The InChIKey is KMJBBQIONLNGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FO2/c1-14-17(22-13-16-7-4-8-16)9-10-18(19(14)20)21-12-11-15-5-2-3-6-15/h9-10,15-16H,2-8,11-13H2,1H3.
What are the key properties of 1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene?
1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene has a molecular weight of 306.42 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene is sourced from PubChem (CID 158334858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).