4-(4-fluoro-3-methylphenyl)butan-2-ol

C11H15FO — CID 64516741

IUPAC4-(4-fluoro-3-methylphenyl)butan-2-ol
SMILESCc1cc(CCC(C)O)ccc1F
InChIInChI=1S/C11H15FO/c1-8-7-10(4-3-9(2)13)5-6-11(8)12/h5-7,9,13H,3-4H2,1-2H3
InChIKeyYTINFPVASSWVPD-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.45
Rot. Bonds3

About 4-(4-fluoro-3-methylphenyl)butan-2-ol

4-(4-fluoro-3-methylphenyl)butan-2-ol (PubChem CID 64516741) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)butan-2-ol
PubChem CID64516741
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name4-(4-fluoro-3-methylphenyl)butan-2-ol
SMILESCc1cc(CCC(C)O)ccc1F
InChIInChI=1S/C11H15FO/c1-8-7-10(4-3-9(2)13)5-6-11(8)12/h5-7,9,13H,3-4H2,1-2H3
InChIKeyYTINFPVASSWVPD-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol
CID 64515839
1-(4-fluoro-3-methylphenyl)pentan-3-ol
CID 64515114
1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol
CID 64514428
(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine
CID 90212776
4-(3-bromo-4-methylphenyl)butan-2-ol
CID 131143359
5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 79735912
4-(2,6-difluoro-3-methylphenyl)butan-2-ol
CID 82822175
[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol
CID 115229428
4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol
CID 82398888
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141021
1-fluoro-2-methyl-4-(2-methylpentyl)benzene
CID 143267587
4-(4-fluoro-3-methylphenyl)-3-methylbutan-1-amine
CID 83931066

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)butan-2-ol?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)butan-2-ol (CID 64516741) is 4-(4-fluoro-3-methylphenyl)butan-2-ol.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)butan-2-ol?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)butan-2-ol is Cc1cc(CCC(C)O)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)butan-2-ol?
The InChIKey is YTINFPVASSWVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-8-7-10(4-3-9(2)13)5-6-11(8)12/h5-7,9,13H,3-4H2,1-2H3.
What are the key properties of 4-(4-fluoro-3-methylphenyl)butan-2-ol?
4-(4-fluoro-3-methylphenyl)butan-2-ol has a molecular weight of 182.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)butan-2-ol is sourced from PubChem (CID 64516741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).