1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene

C15H19FO — CID 162141798

IUPAC1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene
SMILESCc1c(CC2CCC2)ccc(OC2CC2)c1F
InChIInChI=1S/C15H19FO/c1-10-12(9-11-3-2-4-11)5-8-14(15(10)16)17-13-6-7-13/h5,8,11,13H,2-4,6-7,9H2,1H3
InChIKeyLMQBESKDHFJJBM-UHFFFAOYSA-N
MW234.31 g/mol
LogP4.02
Rot. Bonds4

About 1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene

1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene (PubChem CID 162141798) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene
PubChem CID162141798
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Name1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene
SMILESCc1c(CC2CCC2)ccc(OC2CC2)c1F
InChIInChI=1S/C15H19FO/c1-10-12(9-11-3-2-4-11)5-8-14(15(10)16)17-13-6-7-13/h5,8,11,13H,2-4,6-7,9H2,1H3
InChIKeyLMQBESKDHFJJBM-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene
CID 159362003
1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene
CID 158177850
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
3-fluoro-1-[(4-methoxycyclohexyl)methyl]-2-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene
CID 58212285
1-cyclobutyloxy-2,3,4-trifluorobenzene
CID 155030976
[2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine
CID 107532709
1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene
CID 158095086
2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 20742506
1-(cyclobutylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 157197964
1-cyclopentyloxy-2-fluoro-3-methylbenzene
CID 103942608
1-cyclopentyl-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282573

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene?
The IUPAC name of 1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene (CID 162141798) is 1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene.
What is the SMILES notation for 1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene?
The canonical SMILES for 1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene is Cc1c(CC2CCC2)ccc(OC2CC2)c1F.
What is the InChIKey of 1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene?
The InChIKey is LMQBESKDHFJJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO/c1-10-12(9-11-3-2-4-11)5-8-14(15(10)16)17-13-6-7-13/h5,8,11,13H,2-4,6-7,9H2,1H3.
What are the key properties of 1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene?
1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene has a molecular weight of 234.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene is sourced from PubChem (CID 162141798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).