1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene

C14H17FO2 — CID 158177850

IUPAC1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene
SMILESCc1c(OC2CC2)ccc(OC2CCC2)c1F
InChIInChI=1S/C14H17FO2/c1-9-12(16-11-5-6-11)7-8-13(14(9)15)17-10-3-2-4-10/h7-8,10-11H,2-6H2,1H3
InChIKeyZFSVEEXSSMCTKG-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.61
Rot. Bonds4

About 1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene

1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene (PubChem CID 158177850) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene
PubChem CID158177850
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene
SMILESCc1c(OC2CC2)ccc(OC2CCC2)c1F
InChIInChI=1S/C14H17FO2/c1-9-12(16-11-5-6-11)7-8-13(14(9)15)17-10-3-2-4-10/h7-8,10-11H,2-6H2,1H3
InChIKeyZFSVEEXSSMCTKG-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyloxy-2,3,4-trifluorobenzene
CID 155030976
1-(cyclobutylmethyl)-4-cyclopropyloxy-3-fluoro-2-methylbenzene
CID 162141798
1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene
CID 158095086
1-cyclopentyloxy-2-fluoro-3-methylbenzene
CID 103942608
1-cyclobutyloxy-4-cyclopentyl-2,3-difluorobenzene
CID 153282478
1-cyclohexyloxy-2-fluoro-3-methylbenzene
CID 70930096
1-cyclopentyl-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282573
1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282322
1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene
CID 130057182
4-(2-fluoro-3-methylphenoxy)azepane
CID 107661448
1-[(E)-2-cyclobutylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene
CID 147615512
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene?
The IUPAC name of 1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene (CID 158177850) is 1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene.
What is the SMILES notation for 1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene?
The canonical SMILES for 1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene is Cc1c(OC2CC2)ccc(OC2CCC2)c1F.
What is the InChIKey of 1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene?
The InChIKey is ZFSVEEXSSMCTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-9-12(16-11-5-6-11)7-8-13(14(9)15)17-10-3-2-4-10/h7-8,10-11H,2-6H2,1H3.
What are the key properties of 1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene?
1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene has a molecular weight of 236.29 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene is sourced from PubChem (CID 158177850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).