4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol

C12H17FO2 — CID 82113404

IUPAC4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol
SMILESCOc1ccc(F)cc1CCC(C)(C)O
InChIInChI=1S/C12H17FO2/c1-12(2,14)7-6-9-8-10(13)4-5-11(9)15-3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyDJGVCDBORKPTRW-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.54
Rot. Bonds4

About 4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol

4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol (PubChem CID 82113404) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol
PubChem CID82113404
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol
SMILESCOc1ccc(F)cc1CCC(C)(C)O
InChIInChI=1S/C12H17FO2/c1-12(2,14)7-6-9-8-10(13)4-5-11(9)15-3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyDJGVCDBORKPTRW-UHFFFAOYSA-N
XLogP2.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol
CID 82473076
(5-fluoro-2-methoxyphenyl)methanethiol
CID 24688819
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
1-(5-fluoro-2-methoxyanilino)-2-methylpropan-2-ol
CID 115136729
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
1-(5-fluoro-2-methoxyphenyl)pentan-3-ol
CID 82782849
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136113
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-methylhydrazine
CID 82282134
(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 97294141
4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
CID 79360243

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol (CID 82113404) is 4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol is COc1ccc(F)cc1CCC(C)(C)O.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol?
The InChIKey is DJGVCDBORKPTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-12(2,14)7-6-9-8-10(13)4-5-11(9)15-3/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol?
4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol has a molecular weight of 212.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol is sourced from PubChem (CID 82113404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).