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

C13H17FO2 — CID 79332815

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-propylcyclopropan-1-ol
SMILESCCCC1CC1(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H17FO2/c1-3-4-10-8-13(10,15)9-5-6-12(16-2)11(14)7-9/h5-7,10,15H,3-4,8H2,1-2H3
InChIKeyAQYLCSFEAQEFKW-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.84
Rot. Bonds4

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

1-(3-fluoro-4-methoxyphenyl)-2-propylcyclopropan-1-ol (PubChem CID 79332815) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-propylcyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-propylcyclopropan-1-ol
PubChem CID79332815
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-propylcyclopropan-1-ol
SMILESCCCC1CC1(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H17FO2/c1-3-4-10-8-13(10,15)9-5-6-12(16-2)11(14)7-9/h5-7,10,15H,3-4,8H2,1-2H3
InChIKeyAQYLCSFEAQEFKW-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-2-propylcyclopropan-1-ol
CID 107957841
3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol
CID 80561285
2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 79333625
2-(3-fluoro-4-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389721
1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol
CID 79333273
1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine
CID 65086410
3-(3-fluoro-4-methoxyphenyl)-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171961617
3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961618
1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol
CID 106874129
1-(2-bromo-6-fluorophenyl)-2-propylcyclopropan-1-ol
CID 114560911
1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone
CID 82283649
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-propylcyclopropan-1-ol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-propylcyclopropan-1-ol (CID 79332815) is 1-(3-fluoro-4-methoxyphenyl)-2-propylcyclopropan-1-ol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-propylcyclopropan-1-ol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-propylcyclopropan-1-ol is CCCC1CC1(O)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-propylcyclopropan-1-ol?
The InChIKey is AQYLCSFEAQEFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-3-4-10-8-13(10,15)9-5-6-12(16-2)11(14)7-9/h5-7,10,15H,3-4,8H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-propylcyclopropan-1-ol?
1-(3-fluoro-4-methoxyphenyl)-2-propylcyclopropan-1-ol has a molecular weight of 224.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-propylcyclopropan-1-ol is sourced from PubChem (CID 79332815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).