3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol

C13H19FO3 — CID 105372912

IUPAC3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol
SMILESCOC(OC)C(C)(O)Cc1cc(F)ccc1C
InChIInChI=1S/C13H19FO3/c1-9-5-6-11(14)7-10(9)8-13(2,15)12(16-3)17-4/h5-7,12,15H,8H2,1-4H3
InChIKeyGQEZAONJDVDRJF-UHFFFAOYSA-N
MW242.29 g/mol
LogP2.05
Rot. Bonds5

About 3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol

3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol (PubChem CID 105372912) has the molecular formula C13H19FO3 and a molecular weight of 242.29 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol
PubChem CID105372912
Molecular FormulaC13H19FO3
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol
SMILESCOC(OC)C(C)(O)Cc1cc(F)ccc1C
InChIInChI=1S/C13H19FO3/c1-9-5-6-11(14)7-10(9)8-13(2,15)12(16-3)17-4/h5-7,12,15H,8H2,1-4H3
InChIKeyGQEZAONJDVDRJF-UHFFFAOYSA-N
XLogP2.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105372977
3-(5-fluoro-2-methylphenyl)-2-hydroxy-2-methylpropanal
CID 105372913
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol
CID 105376091
2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol
CID 105375980
3-(2-chloro-4-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 106866435
1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66039335
1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine
CID 83698852
1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105375921
3-(2,5-dichlorophenyl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 66037663
1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 105375922
4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine
CID 105376290
1-chloro-1,1-difluoro-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105373359

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol?
The IUPAC name of 3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol (CID 105372912) is 3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol.
What is the SMILES notation for 3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol?
The canonical SMILES for 3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol is COC(OC)C(C)(O)Cc1cc(F)ccc1C.
What is the InChIKey of 3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol?
The InChIKey is GQEZAONJDVDRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO3/c1-9-5-6-11(14)7-10(9)8-13(2,15)12(16-3)17-4/h5-7,12,15H,8H2,1-4H3.
What are the key properties of 3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol?
3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol has a molecular weight of 242.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol is sourced from PubChem (CID 105372912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).