3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol

C10H13FO3 — CID 84669345

IUPAC3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol
SMILESCOc1c(F)ccc(C(C)(C)O)c1O
InChIInChI=1S/C10H13FO3/c1-10(2,13)6-4-5-7(11)9(14-3)8(6)12/h4-5,12-13H,1-3H3
InChIKeyKPUSRTNHDZAKHO-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.77
Rot. Bonds2

About 3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol

3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol (PubChem CID 84669345) has the molecular formula C10H13FO3 and a molecular weight of 200.21 g/mol. Its IUPAC name is 3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol
PubChem CID84669345
Molecular FormulaC10H13FO3
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol
SMILESCOc1c(F)ccc(C(C)(C)O)c1O
InChIInChI=1S/C10H13FO3/c1-10(2,13)6-4-5-7(11)9(14-3)8(6)12/h4-5,12-13H,1-3H3
InChIKeyKPUSRTNHDZAKHO-UHFFFAOYSA-N
XLogP1.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol
CID 117288541
2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide
CID 84711385
2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 117289253
6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
CID 117304251
2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol
CID 84711006
3-fluoro-6-(hydroxymethyl)-2-methoxyphenol
CID 84654293
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol
CID 117113957
2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol
CID 117305491
2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117358289
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117410038
6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol
CID 84680912
2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane
CID 178095576

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol?
The IUPAC name of 3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol (CID 84669345) is 3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol.
What is the SMILES notation for 3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol?
The canonical SMILES for 3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol is COc1c(F)ccc(C(C)(C)O)c1O.
What is the InChIKey of 3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol?
The InChIKey is KPUSRTNHDZAKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3/c1-10(2,13)6-4-5-7(11)9(14-3)8(6)12/h4-5,12-13H,1-3H3.
What are the key properties of 3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol?
3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol has a molecular weight of 200.21 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol is sourced from PubChem (CID 84669345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).