3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol

C13H19FO2 — CID 104793017

IUPAC3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol
SMILESCCC(O)(CC)Cc1cccc(OC)c1F
InChIInChI=1S/C13H19FO2/c1-4-13(15,5-2)9-10-7-6-8-11(16-3)12(10)14/h6-8,15H,4-5,9H2,1-3H3
InChIKeyZFHFCFCYLUAGBD-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.93
Rot. Bonds5

About 3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol

3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol (PubChem CID 104793017) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol
PubChem CID104793017
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol
SMILESCCC(O)(CC)Cc1cccc(OC)c1F
InChIInChI=1S/C13H19FO2/c1-4-13(15,5-2)9-10-7-6-8-11(16-3)12(10)14/h6-8,15H,4-5,9H2,1-3H3
InChIKeyZFHFCFCYLUAGBD-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol
CID 113453954
2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
CID 158318334
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine
CID 113453864
3-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-hydroxypentan-2-one
CID 103446967
1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine
CID 113453716
2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 104795340
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol
CID 104793000
1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol
CID 104793004
3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 104794636
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine
CID 104793318
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol?
The IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol (CID 104793017) is 3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol?
The canonical SMILES for 3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol is CCC(O)(CC)Cc1cccc(OC)c1F.
What is the InChIKey of 3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol?
The InChIKey is ZFHFCFCYLUAGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2/c1-4-13(15,5-2)9-10-7-6-8-11(16-3)12(10)14/h6-8,15H,4-5,9H2,1-3H3.
What are the key properties of 3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol?
3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol has a molecular weight of 226.29 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol is sourced from PubChem (CID 104793017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).