1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid

C14H17FO4 — CID 117424259

IUPAC1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
SMILESCOCc1cc(F)cc(OC)c1C1(C(=O)O)CCC1
InChIInChI=1S/C14H17FO4/c1-18-8-9-6-10(15)7-11(19-2)12(9)14(13(16)17)4-3-5-14/h6-7H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyJUBWSLUQTMKBAF-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.49
Rot. Bonds5

About 1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid

1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid (PubChem CID 117424259) has the molecular formula C14H17FO4 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
PubChem CID117424259
Molecular FormulaC14H17FO4
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
SMILESCOCc1cc(F)cc(OC)c1C1(C(=O)O)CCC1
InChIInChI=1S/C14H17FO4/c1-18-8-9-6-10(15)7-11(19-2)12(9)14(13(16)17)4-3-5-14/h6-7H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyJUBWSLUQTMKBAF-UHFFFAOYSA-N
XLogP2.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117424298
1-[2,6-difluoro-3-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117393638
1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344763
1-(2-fluoro-3,6-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388593
1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117428758
1-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117434426
1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117353256
1-(5-fluoro-2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117352658
1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117415224
1-(2,5-difluoro-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117357150
1-(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117495385
1-(2-chloro-3-ethyl-6-hydroxy-5-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117458250

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid (CID 117424259) is 1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid is COCc1cc(F)cc(OC)c1C1(C(=O)O)CCC1.
What is the InChIKey of 1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid?
The InChIKey is JUBWSLUQTMKBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO4/c1-18-8-9-6-10(15)7-11(19-2)12(9)14(13(16)17)4-3-5-14/h6-7H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid?
1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117424259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).