1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol

C13H17FO2 — CID 117322144

IUPAC1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol
SMILESCOc1cccc(C(C)F)c1CC1(O)CC1
InChIInChI=1S/C13H17FO2/c1-9(14)10-4-3-5-12(16-2)11(10)8-13(15)6-7-13/h3-5,9,15H,6-8H2,1-2H3
InChIKeyMUQONZLLLAONLU-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.79
Rot. Bonds4

About 1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol

1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol (PubChem CID 117322144) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol
PubChem CID117322144
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol
SMILESCOc1cccc(C(C)F)c1CC1(O)CC1
InChIInChI=1S/C13H17FO2/c1-9(14)10-4-3-5-12(16-2)11(10)8-13(15)6-7-13/h3-5,9,15H,6-8H2,1-2H3
InChIKeyMUQONZLLLAONLU-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462925
1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117384074
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol
CID 117300377
1-(1-fluoroethyl)-2-(1-isocyanatocyclobutyl)-3-methoxybenzene
CID 117375957
1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117320065
1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117379471
2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid
CID 117383717
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117348864
1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117374425
1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol
CID 117368497
3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117434988
3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117318322

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol (CID 117322144) is 1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol is COc1cccc(C(C)F)c1CC1(O)CC1.
What is the InChIKey of 1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol?
The InChIKey is MUQONZLLLAONLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-9(14)10-4-3-5-12(16-2)11(10)8-13(15)6-7-13/h3-5,9,15H,6-8H2,1-2H3.
What are the key properties of 1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol?
1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol has a molecular weight of 224.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117322144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).