1-cyclopentyloxy-2-fluoro-3-methylbenzene

C12H15FO — CID 103942608

IUPAC1-cyclopentyloxy-2-fluoro-3-methylbenzene
SMILESCc1cccc(OC2CCCC2)c1F
InChIInChI=1S/C12H15FO/c1-9-5-4-8-11(12(9)13)14-10-6-2-3-7-10/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyCRNKBAFEHGCRTK-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.46
Rot. Bonds2

About 1-cyclopentyloxy-2-fluoro-3-methylbenzene

1-cyclopentyloxy-2-fluoro-3-methylbenzene (PubChem CID 103942608) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-cyclopentyloxy-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-cyclopentyloxy-2-fluoro-3-methylbenzene
PubChem CID103942608
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name1-cyclopentyloxy-2-fluoro-3-methylbenzene
SMILESCc1cccc(OC2CCCC2)c1F
InChIInChI=1S/C12H15FO/c1-9-5-4-8-11(12(9)13)14-10-6-2-3-7-10/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyCRNKBAFEHGCRTK-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyloxy-2-fluoro-3-methylbenzene
CID 70930096
4-(2-fluoro-3-methylphenoxy)azepane
CID 107661448
4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine
CID 114272156
10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol
CID 91093858
1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene
CID 158177850
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene
CID 130057182
1,2-dicyclohexyloxybenzene
CID 67331328
1-cyclobutyloxy-4-cyclopentyl-2,3-difluorobenzene
CID 153282478
3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine
CID 79618474
1-cyclobutyloxy-2,3,4-trifluorobenzene
CID 155030976
1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone
CID 103988434

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-2-fluoro-3-methylbenzene?
The IUPAC name of 1-cyclopentyloxy-2-fluoro-3-methylbenzene (CID 103942608) is 1-cyclopentyloxy-2-fluoro-3-methylbenzene.
What is the SMILES notation for 1-cyclopentyloxy-2-fluoro-3-methylbenzene?
The canonical SMILES for 1-cyclopentyloxy-2-fluoro-3-methylbenzene is Cc1cccc(OC2CCCC2)c1F.
What is the InChIKey of 1-cyclopentyloxy-2-fluoro-3-methylbenzene?
The InChIKey is CRNKBAFEHGCRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-9-5-4-8-11(12(9)13)14-10-6-2-3-7-10/h4-5,8,10H,2-3,6-7H2,1H3.
What are the key properties of 1-cyclopentyloxy-2-fluoro-3-methylbenzene?
1-cyclopentyloxy-2-fluoro-3-methylbenzene has a molecular weight of 194.25 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-2-fluoro-3-methylbenzene is sourced from PubChem (CID 103942608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).