1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol

C13H19FO2 — CID 116711949

IUPAC1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol
SMILESCOC(C(C)C)C(O)c1cc(C)cc(F)c1
InChIInChI=1S/C13H19FO2/c1-8(2)13(16-4)12(15)10-5-9(3)6-11(14)7-10/h5-8,12-13,15H,1-4H3
InChIKeyTWLIPFXFXZZOCY-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.84
Rot. Bonds4

About 1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol

1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol (PubChem CID 116711949) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol
PubChem CID116711949
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol
SMILESCOC(C(C)C)C(O)c1cc(C)cc(F)c1
InChIInChI=1S/C13H19FO2/c1-8(2)13(16-4)12(15)10-5-9(3)6-11(14)7-10/h5-8,12-13,15H,1-4H3
InChIKeyTWLIPFXFXZZOCY-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol
CID 116756883
2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol
CID 79704820
1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711989
1-(3-fluoro-5-methylphenyl)pentane-1,2-diol
CID 103454916
1-(5-fluoro-2-methoxyphenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711840
1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 79691284
1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711931
(1R,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diol
CID 102316400
(3-fluoro-5-methylphenyl)-(4-methoxyphenyl)methanol
CID 79691470
ethyl 2-(3-fluoro-5-methylphenyl)-3-methylbutanoate
CID 79690318
2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol
CID 116757127
(3-fluoro-5-methylphenyl)-(3-methoxyphenyl)methanol
CID 79689828

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol (CID 116711949) is 1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol is COC(C(C)C)C(O)c1cc(C)cc(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol?
The InChIKey is TWLIPFXFXZZOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2/c1-8(2)13(16-4)12(15)10-5-9(3)6-11(14)7-10/h5-8,12-13,15H,1-4H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol?
1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol has a molecular weight of 226.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 116711949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).