[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol

C12H17FO3 — CID 84691885

IUPAC[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol
SMILESCOc1cc(CO)cc(C(C)(C)F)c1OC
InChIInChI=1S/C12H17FO3/c1-12(2,13)9-5-8(7-14)6-10(15-3)11(9)16-4/h5-6,14H,7H2,1-4H3
InChIKeyXQYOYPHGBXQFOY-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.40
Rot. Bonds4

About [3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol

[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol (PubChem CID 84691885) has the molecular formula C12H17FO3 and a molecular weight of 228.26 g/mol. Its IUPAC name is [3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol.

Molecular Properties

Compound Name[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol
PubChem CID84691885
Molecular FormulaC12H17FO3
Molecular Weight228.26 g/mol
Exact Mass228.12
IUPAC Name[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol
SMILESCOc1cc(CO)cc(C(C)(C)F)c1OC
InChIInChI=1S/C12H17FO3/c1-12(2,13)9-5-8(7-14)6-10(15-3)11(9)16-4/h5-6,14H,7H2,1-4H3
InChIKeyXQYOYPHGBXQFOY-UHFFFAOYSA-N
XLogP2.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoropropan-2-yl)-5-(isocyanatomethyl)-2,3-dimethoxybenzene
CID 117385523
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol
CID 117378332
[4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol
CID 171014426
[3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol
CID 68686622
2-(5-ethyl-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117349589
1-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]ethanone
CID 117353223
2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol
CID 117353559
4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol
CID 79355276
3-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79624420
2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol
CID 10939314
[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol
CID 54958089
3-(5-ethyl-2,3-dimethoxyphenyl)-3-methylbutanoic acid
CID 117419962

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol?
The IUPAC name of [3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol (CID 84691885) is [3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol.
What is the SMILES notation for [3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol?
The canonical SMILES for [3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol is COc1cc(CO)cc(C(C)(C)F)c1OC.
What is the InChIKey of [3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol?
The InChIKey is XQYOYPHGBXQFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3/c1-12(2,13)9-5-8(7-14)6-10(15-3)11(9)16-4/h5-6,14H,7H2,1-4H3.
What are the key properties of [3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol?
[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol has a molecular weight of 228.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol is sourced from PubChem (CID 84691885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).