1-(4-fluorophenyl)-3-methylbutan-1-ol

C11H15FO — CID 60797473

IUPAC1-(4-fluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1ccc(F)cc1
InChIInChI=1S/C11H15FO/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h3-6,8,11,13H,7H2,1-2H3
InChIKeyWHXXWRLNVHZPOJ-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.91
Rot. Bonds3

About 1-(4-fluorophenyl)-3-methylbutan-1-ol

1-(4-fluorophenyl)-3-methylbutan-1-ol (PubChem CID 60797473) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methylbutan-1-ol
PubChem CID60797473
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name1-(4-fluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1ccc(F)cc1
InChIInChI=1S/C11H15FO/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h3-6,8,11,13H,7H2,1-2H3
InChIKeyWHXXWRLNVHZPOJ-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 79691284
1-(4-fluorophenyl)-2-propan-2-yloxyethanol
CID 79567387
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
(1S,3S)-3-amino-1-(4-fluorophenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237039
(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 67342546
[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]azanium
CID 38989030
1-(4-fluorophenyl)-2-trimethylsilylethanol
CID 118997274
1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol
CID 60714901
4-(1-hydroxy-3-methylbutyl)benzamide
CID 118216553
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-methylbutan-1-ol (CID 60797473) is 1-(4-fluorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-methylbutan-1-ol is CC(C)CC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methylbutan-1-ol?
The InChIKey is WHXXWRLNVHZPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h3-6,8,11,13H,7H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-methylbutan-1-ol?
1-(4-fluorophenyl)-3-methylbutan-1-ol has a molecular weight of 182.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 60797473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).