1-butan-2-yloxy-2-fluoro-4-methylbenzene

C11H15FO — CID 59391433

IUPAC1-butan-2-yloxy-2-fluoro-4-methylbenzene
SMILESCCC(C)Oc1ccc(C)cc1F
InChIInChI=1S/C11H15FO/c1-4-9(3)13-11-6-5-8(2)7-10(11)12/h5-7,9H,4H2,1-3H3
InChIKeyGKWZHPURDBQDCB-UHFFFAOYSA-N
MW182.24 g/mol
LogP3.31
Rot. Bonds3

About 1-butan-2-yloxy-2-fluoro-4-methylbenzene

1-butan-2-yloxy-2-fluoro-4-methylbenzene (PubChem CID 59391433) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-butan-2-yloxy-2-fluoro-4-methylbenzene.

Molecular Properties

Compound Name1-butan-2-yloxy-2-fluoro-4-methylbenzene
PubChem CID59391433
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name1-butan-2-yloxy-2-fluoro-4-methylbenzene
SMILESCCC(C)Oc1ccc(C)cc1F
InChIInChI=1S/C11H15FO/c1-4-9(3)13-11-6-5-8(2)7-10(11)12/h5-7,9H,4H2,1-3H3
InChIKeyGKWZHPURDBQDCB-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(2-fluoro-4-methylphenoxy)propan-1-ol
CID 90121366
1-butan-2-yloxy-2,4-dimethylbenzene;ethane
CID 142890016
(2-butan-2-yloxy-5-methylphenyl)-trifluoroboranuide
CID 63678318
2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129
1-(2-fluoro-4-methylphenoxy)ethanol
CID 134488224
2-butan-2-yloxy-5-methylbenzoic acid
CID 61379818
(1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine
CID 63367361
[(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate
CID 90121372
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene
CID 22886332
(E)-3-(4-butan-2-yloxy-3-fluorophenyl)prop-2-enoic acid
CID 107692302
3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-1-amine
CID 60801033

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-2-fluoro-4-methylbenzene?
The IUPAC name of 1-butan-2-yloxy-2-fluoro-4-methylbenzene (CID 59391433) is 1-butan-2-yloxy-2-fluoro-4-methylbenzene.
What is the SMILES notation for 1-butan-2-yloxy-2-fluoro-4-methylbenzene?
The canonical SMILES for 1-butan-2-yloxy-2-fluoro-4-methylbenzene is CCC(C)Oc1ccc(C)cc1F.
What is the InChIKey of 1-butan-2-yloxy-2-fluoro-4-methylbenzene?
The InChIKey is GKWZHPURDBQDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-4-9(3)13-11-6-5-8(2)7-10(11)12/h5-7,9H,4H2,1-3H3.
What are the key properties of 1-butan-2-yloxy-2-fluoro-4-methylbenzene?
1-butan-2-yloxy-2-fluoro-4-methylbenzene has a molecular weight of 182.24 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-2-fluoro-4-methylbenzene is sourced from PubChem (CID 59391433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).