1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol

C12H17FO2 — CID 103448709

IUPAC1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1cc(F)ccc1C
InChIInChI=1S/C12H17FO2/c1-4-12(3,15)11(14)10-7-9(13)6-5-8(10)2/h5-7,11,14-15H,4H2,1-3H3
InChIKeyQDUSWTBSWPLXGH-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.33
Rot. Bonds3

About 1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol

1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol (PubChem CID 103448709) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol
PubChem CID103448709
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1cc(F)ccc1C
InChIInChI=1S/C12H17FO2/c1-4-12(3,15)11(14)10-7-9(13)6-5-8(10)2/h5-7,11,14-15H,4H2,1-3H3
InChIKeyQDUSWTBSWPLXGH-UHFFFAOYSA-N
XLogP2.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(5-fluoro-2-methylphenyl)butane-1,2-diol
CID 103449382
1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448569
1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752047
1-(2,3-difluoro-4-methylphenyl)-2-methylbutane-1,2-diol
CID 107513044
2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol
CID 63414401
1-(3-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448822
1-(2-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448745
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 62791994
1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol
CID 103448788
CID 170791965
CID 170791965
1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol
CID 62791337
1-(2-chlorophenyl)-2-methylbutane-1,2-diol
CID 103448576

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol (CID 103448709) is 1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol is CCC(C)(O)C(O)c1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol?
The InChIKey is QDUSWTBSWPLXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-4-12(3,15)11(14)10-7-9(13)6-5-8(10)2/h5-7,11,14-15H,4H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol?
1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol has a molecular weight of 212.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol is sourced from PubChem (CID 103448709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).