2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene

C12H17FO — CID 134360467

IUPAC2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(OC)cc1F
InChIInChI=1S/C12H17FO/c1-5-12(2,3)10-7-6-9(14-4)8-11(10)13/h6-8H,5H2,1-4H3
InChIKeyFQIURZAXCCQDFW-UHFFFAOYSA-N
MW196.26 g/mol
LogP3.52
Rot. Bonds3

About 2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene

2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene (PubChem CID 134360467) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene
PubChem CID134360467
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(OC)cc1F
InChIInChI=1S/C12H17FO/c1-5-12(2,3)10-7-6-9(14-4)8-11(10)13/h6-8H,5H2,1-4H3
InChIKeyFQIURZAXCCQDFW-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-2-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 69346788
4-methoxy-2-(2-methylbutan-2-yl)phenol
CID 11557455
1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol
CID 103394960
5-methoxy-3-(2-methylbutan-2-yl)-1H-indole
CID 106985577
1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 103395200
1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 69055296
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
CID 116841246
propan-2-yl 2-amino-2-(2-fluoro-4-methoxyphenyl)-4,4-dimethylpentanoate;hydrochloride
CID 175021538
1,2-difluoro-4-methoxybenzene;ethane;pentane
CID 144721710
1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene
CID 146377288
1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 115996402
2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 113235181

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene?
The IUPAC name of 2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene (CID 134360467) is 2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene is CCC(C)(C)c1ccc(OC)cc1F.
What is the InChIKey of 2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene?
The InChIKey is FQIURZAXCCQDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-5-12(2,3)10-7-6-9(14-4)8-11(10)13/h6-8H,5H2,1-4H3.
What are the key properties of 2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene?
2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene has a molecular weight of 196.26 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 134360467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).