2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol

C11H15FO3 — CID 117305491

IUPAC2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol
SMILESCOc1c(C)cc(C(C)(C)O)c(F)c1O
InChIInChI=1S/C11H15FO3/c1-6-5-7(11(2,3)14)8(12)9(13)10(6)15-4/h5,13-14H,1-4H3
InChIKeyKQKUEAURNIZPGB-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.08
Rot. Bonds2

About 2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol

2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol (PubChem CID 117305491) has the molecular formula C11H15FO3 and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol.

Molecular Properties

Compound Name2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol
PubChem CID117305491
Molecular FormulaC11H15FO3
Molecular Weight214.24 g/mol
Exact Mass214.10
IUPAC Name2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol
SMILESCOc1c(C)cc(C(C)(C)O)c(F)c1O
InChIInChI=1S/C11H15FO3/c1-6-5-7(11(2,3)14)8(12)9(13)10(6)15-4/h5,13-14H,1-4H3
InChIKeyKQKUEAURNIZPGB-UHFFFAOYSA-N
XLogP2.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol
CID 117113957
2-(5-bromo-2,4-difluoro-3-methoxyphenyl)propan-2-ol
CID 84715079
2-(5-bromo-2,3-difluoro-4-methoxyphenyl)propan-2-ol
CID 84715078
2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane
CID 178095576
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 84706691
3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol
CID 84669345
2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 117289253
3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117304214
3-(2-fluoro-3-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117328457
3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117386077
methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate
CID 144982422
4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol
CID 117113905

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol?
The IUPAC name of 2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol (CID 117305491) is 2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol.
What is the SMILES notation for 2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol?
The canonical SMILES for 2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol is COc1c(C)cc(C(C)(C)O)c(F)c1O.
What is the InChIKey of 2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol?
The InChIKey is KQKUEAURNIZPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3/c1-6-5-7(11(2,3)14)8(12)9(13)10(6)15-4/h5,13-14H,1-4H3.
What are the key properties of 2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol?
2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol has a molecular weight of 214.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol is sourced from PubChem (CID 117305491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).