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

C13H19FO3 — CID 116711840

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-methoxy-3-methylbutan-1-ol
SMILESCOc1ccc(F)cc1C(O)C(OC)C(C)C
InChIInChI=1S/C13H19FO3/c1-8(2)13(17-4)12(15)10-7-9(14)5-6-11(10)16-3/h5-8,12-13,15H,1-4H3
InChIKeyJVBYRHUOKIDKFH-UHFFFAOYSA-N
MW242.29 g/mol
LogP2.54
Rot. Bonds5

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

1-(5-fluoro-2-methoxyphenyl)-2-methoxy-3-methylbutan-1-ol (PubChem CID 116711840) has the molecular formula C13H19FO3 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-methoxy-3-methylbutan-1-ol
PubChem CID116711840
Molecular FormulaC13H19FO3
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-methoxy-3-methylbutan-1-ol
SMILESCOc1ccc(F)cc1C(O)C(OC)C(C)C
InChIInChI=1S/C13H19FO3/c1-8(2)13(17-4)12(15)10-7-9(14)5-6-11(10)16-3/h5-8,12-13,15H,1-4H3
InChIKeyJVBYRHUOKIDKFH-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711989
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 164892130
3-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 82781916
3-bromo-1-(5-fluoro-2-methoxyphenyl)propane-1,2-diol
CID 171859876
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol
CID 82112362
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914588

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-3-methylbutan-1-ol (CID 116711840) is 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-3-methylbutan-1-ol is COc1ccc(F)cc1C(O)C(OC)C(C)C.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-3-methylbutan-1-ol?
The InChIKey is JVBYRHUOKIDKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO3/c1-8(2)13(17-4)12(15)10-7-9(14)5-6-11(10)16-3/h5-8,12-13,15H,1-4H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-3-methylbutan-1-ol?
1-(5-fluoro-2-methoxyphenyl)-2-methoxy-3-methylbutan-1-ol has a molecular weight of 242.29 g/mol, XLogP of 2.54, 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)-2-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 116711840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).