1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol

C11H13FO3 — CID 117302785

IUPAC1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol
SMILESCOc1ccc(F)c(OC)c1C1(O)CC1
InChIInChI=1S/C11H13FO3/c1-14-8-4-3-7(12)10(15-2)9(8)11(13)5-6-11/h3-4,13H,5-6H2,1-2H3
InChIKeyJTOUOLTUAZQDKB-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.82
Rot. Bonds3

About 1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol

1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol (PubChem CID 117302785) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol
PubChem CID117302785
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol
SMILESCOc1ccc(F)c(OC)c1C1(O)CC1
InChIInChI=1S/C11H13FO3/c1-14-8-4-3-7(12)10(15-2)9(8)11(13)5-6-11/h3-4,13H,5-6H2,1-2H3
InChIKeyJTOUOLTUAZQDKB-UHFFFAOYSA-N
XLogP1.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 84775707
1-(2-fluoro-6-methoxyphenyl)cyclopropan-1-ol
CID 65434652
1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-ol
CID 117300712
1-[2-(fluoromethyl)-6-methoxyphenyl]cyclopropan-1-ol
CID 117286177
1-(2-fluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 83808255
3-chloro-2-(1-hydroxycyclopropyl)-6-methoxyphenol
CID 117305910
5-fluoro-2-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 117287688
1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol
CID 117487902
1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol
CID 117325333
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol
CID 117462959
3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol
CID 80561285

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol (CID 117302785) is 1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol is COc1ccc(F)c(OC)c1C1(O)CC1.
What is the InChIKey of 1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol?
The InChIKey is JTOUOLTUAZQDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-14-8-4-3-7(12)10(15-2)9(8)11(13)5-6-11/h3-4,13H,5-6H2,1-2H3.
What are the key properties of 1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol?
1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol has a molecular weight of 212.22 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117302785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).