1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol

C13H17FO2 — CID 117322147

IUPAC1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol
SMILESCCc1c(CC2(O)CC2)cc(F)cc1OC
InChIInChI=1S/C13H17FO2/c1-3-11-9(8-13(15)4-5-13)6-10(14)7-12(11)16-2/h6-7,15H,3-5,8H2,1-2H3
InChIKeyRZUNAFCOGUIGPC-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.46
Rot. Bonds4

About 1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol

1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol (PubChem CID 117322147) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol
PubChem CID117322147
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol
SMILESCCc1c(CC2(O)CC2)cc(F)cc1OC
InChIInChI=1S/C13H17FO2/c1-3-11-9(8-13(15)4-5-13)6-10(14)7-12(11)16-2/h6-7,15H,3-5,8H2,1-2H3
InChIKeyRZUNAFCOGUIGPC-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117302776
1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117353256
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105499389
1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117304180
3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117318322
3-[(1-hydroxycyclopropyl)methyl]-4-methoxyphenol
CID 117284575
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine
CID 117420263
1-[(5-ethoxy-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-ol
CID 117345254
1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117379471
1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117349180
2-(2-ethyl-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid
CID 117324853
methyl 4-hydroxy-5-[(1-hydroxycyclopropyl)methyl]-2-methoxybenzoate
CID 117383572

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol (CID 117322147) is 1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol is CCc1c(CC2(O)CC2)cc(F)cc1OC.
What is the InChIKey of 1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol?
The InChIKey is RZUNAFCOGUIGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-3-11-9(8-13(15)4-5-13)6-10(14)7-12(11)16-2/h6-7,15H,3-5,8H2,1-2H3.
What are the key properties of 1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol?
1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol has a molecular weight of 224.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117322147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).