6-(2-fluoro-3-methoxyphenyl)hexan-3-ol

C13H19FO2 — CID 104795145

IUPAC6-(2-fluoro-3-methoxyphenyl)hexan-3-ol
SMILESCCC(O)CCCc1cccc(OC)c1F
InChIInChI=1S/C13H19FO2/c1-3-11(15)8-4-6-10-7-5-9-12(16-2)13(10)14/h5,7,9,11,15H,3-4,6,8H2,1-2H3
InChIKeyFKDNZZBFTOCEEL-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.93
Rot. Bonds6

About 6-(2-fluoro-3-methoxyphenyl)hexan-3-ol

6-(2-fluoro-3-methoxyphenyl)hexan-3-ol (PubChem CID 104795145) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 6-(2-fluoro-3-methoxyphenyl)hexan-3-ol.

Molecular Properties

Compound Name6-(2-fluoro-3-methoxyphenyl)hexan-3-ol
PubChem CID104795145
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name6-(2-fluoro-3-methoxyphenyl)hexan-3-ol
SMILESCCC(O)CCCc1cccc(OC)c1F
InChIInChI=1S/C13H19FO2/c1-3-11(15)8-4-6-10-7-5-9-12(16-2)13(10)14/h5,7,9,11,15H,3-4,6,8H2,1-2H3
InChIKeyFKDNZZBFTOCEEL-UHFFFAOYSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

1-(3-bromopropyl)-2-fluoro-3-methoxybenzene
CID 82812209
6-(2-fluoro-3-methoxyphenyl)hexan-3-one
CID 104795064
4-(2-fluoro-3-methoxyphenyl)butanal
CID 104795063
2-[(2-fluoro-3-methoxyphenyl)methyl]butanoic acid
CID 104792787
1-(2-fluoro-3-methoxyphenyl)-3-hydroxyhexan-2-one
CID 103453798
2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol
CID 115828563
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105125656
6-(2-methylphenyl)hexan-3-ol
CID 64514172
4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol
CID 142279599
1-(5-fluoro-2-methoxyphenyl)pentan-3-ol
CID 82782849
1-(3-chloro-4,4-dimethylpentyl)-2-fluoro-3-methoxybenzene
CID 82812107
2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 115832675

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methoxyphenyl)hexan-3-ol?
The IUPAC name of 6-(2-fluoro-3-methoxyphenyl)hexan-3-ol (CID 104795145) is 6-(2-fluoro-3-methoxyphenyl)hexan-3-ol.
What is the SMILES notation for 6-(2-fluoro-3-methoxyphenyl)hexan-3-ol?
The canonical SMILES for 6-(2-fluoro-3-methoxyphenyl)hexan-3-ol is CCC(O)CCCc1cccc(OC)c1F.
What is the InChIKey of 6-(2-fluoro-3-methoxyphenyl)hexan-3-ol?
The InChIKey is FKDNZZBFTOCEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2/c1-3-11(15)8-4-6-10-7-5-9-12(16-2)13(10)14/h5,7,9,11,15H,3-4,6,8H2,1-2H3.
What are the key properties of 6-(2-fluoro-3-methoxyphenyl)hexan-3-ol?
6-(2-fluoro-3-methoxyphenyl)hexan-3-ol has a molecular weight of 226.29 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methoxyphenyl)hexan-3-ol is sourced from PubChem (CID 104795145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).