methyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate

C13H15FO4 — CID 170913631

IUPACmethyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate
SMILESCOC(=O)C1(c2c(F)cccc2OC)CC(O)C1
InChIInChI=1S/C13H15FO4/c1-17-10-5-3-4-9(14)11(10)13(12(16)18-2)6-8(15)7-13/h3-5,8,15H,6-7H2,1-2H3
InChIKeyYFFFKCTYJOROMC-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.40
Rot. Bonds3

About methyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate

methyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate (PubChem CID 170913631) has the molecular formula C13H15FO4 and a molecular weight of 254.26 g/mol. Its IUPAC name is methyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate
PubChem CID170913631
Molecular FormulaC13H15FO4
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Namemethyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate
SMILESCOC(=O)C1(c2c(F)cccc2OC)CC(O)C1
InChIInChI=1S/C13H15FO4/c1-17-10-5-3-4-9(14)11(10)13(12(16)18-2)6-8(15)7-13/h3-5,8,15H,6-7H2,1-2H3
InChIKeyYFFFKCTYJOROMC-UHFFFAOYSA-N
XLogP1.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone
CID 83808664
1-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropan-1-ol
CID 79333022
3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171961468
1-(2-fluoro-6-methoxyphenyl)cyclopropan-1-ol
CID 65434652
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
CID 75487964
N-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 113389331
methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 83810004
[4-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 65433856
methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79648683
3-(2-fluoro-6-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961471
methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 105497539
tert-butyl 3-amino-1-(2,6-difluorophenyl)cyclobutane-1-carboxylate
CID 167718131

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate (CID 170913631) is methyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate is COC(=O)C1(c2c(F)cccc2OC)CC(O)C1.
What is the InChIKey of methyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate?
The InChIKey is YFFFKCTYJOROMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO4/c1-17-10-5-3-4-9(14)11(10)13(12(16)18-2)6-8(15)7-13/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of methyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate?
methyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate has a molecular weight of 254.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate is sourced from PubChem (CID 170913631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).