1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol

C13H19FO3 — CID 103027670

IUPAC1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol
SMILESCOc1ccc(F)cc1C(O)CC(C)(C)OC
InChIInChI=1S/C13H19FO3/c1-13(2,17-4)8-11(15)10-7-9(14)5-6-12(10)16-3/h5-7,11,15H,8H2,1-4H3
InChIKeyXSDUGYJZNLRMPG-UHFFFAOYSA-N
MW242.29 g/mol
LogP2.68
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol

1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol (PubChem CID 103027670) has the molecular formula C13H19FO3 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol
PubChem CID103027670
Molecular FormulaC13H19FO3
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol
SMILESCOc1ccc(F)cc1C(O)CC(C)(C)OC
InChIInChI=1S/C13H19FO3/c1-13(2,17-4)8-11(15)10-7-9(14)5-6-12(10)16-3/h5-7,11,15H,8H2,1-4H3
InChIKeyXSDUGYJZNLRMPG-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 61087261
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027520
[1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025453
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 61087087
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
3-bromo-1-(5-fluoro-2-methoxyphenyl)propane-1,2-diol
CID 171859876
1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43122340
(1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol
CID 142421091
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol
CID 105122379
2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol
CID 82112362
3-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 82781916

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol (CID 103027670) is 1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol is COc1ccc(F)cc1C(O)CC(C)(C)OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol?
The InChIKey is XSDUGYJZNLRMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO3/c1-13(2,17-4)8-11(15)10-7-9(14)5-6-12(10)16-3/h5-7,11,15H,8H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol?
1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol has a molecular weight of 242.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 103027670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).