4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid

C15H19ClO4 — CID 117481287

IUPAC4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid
SMILESCOc1cc(Cl)cc(CCCC(=O)O)c1OC1CCC1
InChIInChI=1S/C15H19ClO4/c1-19-13-9-11(16)8-10(4-2-7-14(17)18)15(13)20-12-5-3-6-12/h8-9,12H,2-7H2,1H3,(H,17,18)
InChIKeyXWTASJVJLITRKT-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.69
Rot. Bonds7

About 4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid

4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid (PubChem CID 117481287) has the molecular formula C15H19ClO4 and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid
PubChem CID117481287
Molecular FormulaC15H19ClO4
Molecular Weight298.77 g/mol
Exact Mass298.10
IUPAC Name4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid
SMILESCOc1cc(Cl)cc(CCCC(=O)O)c1OC1CCC1
InChIInChI=1S/C15H19ClO4/c1-19-13-9-11(16)8-10(4-2-7-14(17)18)15(13)20-12-5-3-6-12/h8-9,12H,2-7H2,1H3,(H,17,18)
InChIKeyXWTASJVJLITRKT-UHFFFAOYSA-N
XLogP3.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid
CID 117498916
2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid
CID 117498947
3-(5-chloro-2,3-dimethoxyphenyl)propanoic acid
CID 117363654
5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
CID 113438795
O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 117397784
1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine
CID 117432330
5-chloro-2-cyclobutyloxy-3-methoxyphenol
CID 84692205
(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117495921
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
CID 117495714
1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine
CID 117495669
5-(5-chloro-2-methoxyphenyl)pentanoic acid
CID 93186212
3-(3-carboxypropyl)-4,5-dimethoxybenzoic acid
CID 117424082

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid?
The IUPAC name of 4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid (CID 117481287) is 4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid.
What is the SMILES notation for 4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid?
The canonical SMILES for 4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid is COc1cc(Cl)cc(CCCC(=O)O)c1OC1CCC1.
What is the InChIKey of 4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid?
The InChIKey is XWTASJVJLITRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO4/c1-19-13-9-11(16)8-10(4-2-7-14(17)18)15(13)20-12-5-3-6-12/h8-9,12H,2-7H2,1H3,(H,17,18).
What are the key properties of 4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid?
4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid has a molecular weight of 298.77 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid is sourced from PubChem (CID 117481287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).