1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene

C17H23FO — CID 159362003

IUPAC1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene
SMILESCc1c(CC2CC2)ccc(OCC2CCCC2)c1F
InChIInChI=1S/C17H23FO/c1-12-15(10-13-6-7-13)8-9-16(17(12)18)19-11-14-4-2-3-5-14/h8-9,13-14H,2-7,10-11H2,1H3
InChIKeyULMIQIWSEGRXJF-UHFFFAOYSA-N
MW262.37 g/mol
LogP4.66
Rot. Bonds5

About 1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene

1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene (PubChem CID 159362003) has the molecular formula C17H23FO and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene
PubChem CID159362003
Molecular FormulaC17H23FO
Molecular Weight262.37 g/mol
Exact Mass262.17
IUPAC Name1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene
SMILESCc1c(CC2CC2)ccc(OCC2CCCC2)c1F
InChIInChI=1S/C17H23FO/c1-12-15(10-13-6-7-13)8-9-16(17(12)18)19-11-14-4-2-3-5-14/h8-9,13-14H,2-7,10-11H2,1H3
InChIKeyULMIQIWSEGRXJF-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene
CID 162141798
1-(cyclobutylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 157197964
1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene
CID 158334858
1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282549
2-(cyclopentylmethoxy)-7-ethoxy-1,8-difluorophenanthrene
CID 177267198
[2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine
CID 107532694
1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282322
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
2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene
CID 134473145
1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282425
2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane
CID 145011796
1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene?
The IUPAC name of 1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene (CID 159362003) is 1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene.
What is the SMILES notation for 1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene?
The canonical SMILES for 1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene is Cc1c(CC2CC2)ccc(OCC2CCCC2)c1F.
What is the InChIKey of 1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene?
The InChIKey is ULMIQIWSEGRXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO/c1-12-15(10-13-6-7-13)8-9-16(17(12)18)19-11-14-4-2-3-5-14/h8-9,13-14H,2-7,10-11H2,1H3.
What are the key properties of 1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene?
1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene has a molecular weight of 262.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene is sourced from PubChem (CID 159362003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).