1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol

C13H19FO2 — CID 102878488

IUPAC1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol
SMILESCOc1ccc(CCC(O)C(C)C)c(F)c1
InChIInChI=1S/C13H19FO2/c1-9(2)13(15)7-5-10-4-6-11(16-3)8-12(10)14/h4,6,8-9,13,15H,5,7H2,1-3H3
InChIKeyVPXIPKFRNKSWIA-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.78
Rot. Bonds5

About 1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol

1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol (PubChem CID 102878488) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol
PubChem CID102878488
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol
SMILESCOc1ccc(CCC(O)C(C)C)c(F)c1
InChIInChI=1S/C13H19FO2/c1-9(2)13(15)7-5-10-4-6-11(16-3)8-12(10)14/h4,6,8-9,13,15H,5,7H2,1-3H3
InChIKeyVPXIPKFRNKSWIA-UHFFFAOYSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine
CID 103396754
1-(4-methoxy-2-methylphenyl)hexane-3,4-diol
CID 83936503
6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol
CID 64515603
CID 59418410
CID 59418410
1-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylpentan-3-amine
CID 114177538
5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 65305702
4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
CID 113357039
(2-fluoro-4-methoxyphenyl)methyl-methylazanide
CID 89077895
1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol
CID 102877935
1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817736
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
1-(4-chlorobutan-2-ylsulfanylmethyl)-2-fluoro-4-methoxybenzene
CID 102880125

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol (CID 102878488) is 1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol is COc1ccc(CCC(O)C(C)C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol?
The InChIKey is VPXIPKFRNKSWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2/c1-9(2)13(15)7-5-10-4-6-11(16-3)8-12(10)14/h4,6,8-9,13,15H,5,7H2,1-3H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol?
1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol has a molecular weight of 226.29 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol is sourced from PubChem (CID 102878488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).