1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol

C12H17FO — CID 79691284

IUPAC1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol
SMILESCc1cc(F)cc(C(O)CC(C)C)c1
InChIInChI=1S/C12H17FO/c1-8(2)4-12(14)10-5-9(3)6-11(13)7-10/h5-8,12,14H,4H2,1-3H3
InChIKeyMZSYOUGTDOOKST-UHFFFAOYSA-N
MW196.27 g/mol
LogP3.21
Rot. Bonds3

About 1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol

1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol (PubChem CID 79691284) has the molecular formula C12H17FO and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol
PubChem CID79691284
Molecular FormulaC12H17FO
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol
SMILESCc1cc(F)cc(C(O)CC(C)C)c1
InChIInChI=1S/C12H17FO/c1-8(2)4-12(14)10-5-9(3)6-11(13)7-10/h5-8,12,14H,4H2,1-3H3
InChIKeyMZSYOUGTDOOKST-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-fluorophenyl)-3-methylbutan-1-ol
CID 114454018
3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol
CID 84769044
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 103170158
2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol
CID 79704820
1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol
CID 60918138
2-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 107884328
1-(2-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 62789444
1-(3-fluoro-5-methylphenyl)pentane-1,2-diol
CID 103454916
1-(3-fluoro-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642652
2-(2,4-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 79704311

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol (CID 79691284) is 1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol is Cc1cc(F)cc(C(O)CC(C)C)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol?
The InChIKey is MZSYOUGTDOOKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-8(2)4-12(14)10-5-9(3)6-11(13)7-10/h5-8,12,14H,4H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol?
1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol has a molecular weight of 196.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 79691284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).