3-(5-fluoro-2-methoxyphenyl)butan-2-ol

C11H15FO2 — CID 82781916

IUPAC3-(5-fluoro-2-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(F)cc1C(C)C(C)O
InChIInChI=1S/C11H15FO2/c1-7(8(2)13)10-6-9(12)4-5-11(10)14-3/h4-8,13H,1-3H3
InChIKeyZQKKEVGLEBMNBB-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.32
Rot. Bonds3

About 3-(5-fluoro-2-methoxyphenyl)butan-2-ol

3-(5-fluoro-2-methoxyphenyl)butan-2-ol (PubChem CID 82781916) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)butan-2-ol
PubChem CID82781916
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name3-(5-fluoro-2-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(F)cc1C(C)C(C)O
InChIInChI=1S/C11H15FO2/c1-7(8(2)13)10-6-9(12)4-5-11(10)14-3/h4-8,13H,1-3H3
InChIKeyZQKKEVGLEBMNBB-UHFFFAOYSA-N
XLogP2.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
CID 10420642
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914588
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 164892130
1-(5-fluoro-2-methoxyphenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711840
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol
CID 82112362
3-bromo-1-(5-fluoro-2-methoxyphenyl)propane-1,2-diol
CID 171859876

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)butan-2-ol?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)butan-2-ol (CID 82781916) is 3-(5-fluoro-2-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)butan-2-ol?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)butan-2-ol is COc1ccc(F)cc1C(C)C(C)O.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)butan-2-ol?
The InChIKey is ZQKKEVGLEBMNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-7(8(2)13)10-6-9(12)4-5-11(10)14-3/h4-8,13H,1-3H3.
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)butan-2-ol?
3-(5-fluoro-2-methoxyphenyl)butan-2-ol has a molecular weight of 198.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 82781916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).