3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid

C16H22O4 — CID 117446285

IUPAC3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid
SMILESCOc1ccc(C(C)(C)CC(=O)O)cc1OC1CCC1
InChIInChI=1S/C16H22O4/c1-16(2,10-15(17)18)11-7-8-13(19-3)14(9-11)20-12-5-4-6-12/h7-9,12H,4-6,10H2,1-3H3,(H,17,18)
InChIKeyVYFYARMNKLOJOK-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.38
Rot. Bonds6

About 3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid

3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid (PubChem CID 117446285) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid
PubChem CID117446285
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid
SMILESCOc1ccc(C(C)(C)CC(=O)O)cc1OC1CCC1
InChIInChI=1S/C16H22O4/c1-16(2,10-15(17)18)11-7-8-13(19-3)14(9-11)20-12-5-4-6-12/h7-9,12H,4-6,10H2,1-3H3,(H,17,18)
InChIKeyVYFYARMNKLOJOK-UHFFFAOYSA-N
XLogP3.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid
CID 117472193
3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]-3-methylbutanoic acid
CID 117473397
3-[3-methoxy-4-(thietan-3-yloxy)phenyl]-3-methylbutanoic acid
CID 117477703
3-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-3-methylbutanoic acid
CID 117495401
(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid
CID 70066184
3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-3-methylbutanoic acid
CID 117477574
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide
CID 56987832
3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid
CID 120532543
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methoxy-5-phenylpent-4-ynamide
CID 57235125
2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol
CID 117448315
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
3-(3,4-dimethoxyphenyl)-3-methyl-4-oxopentanoic acid
CID 59956314

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid?
The IUPAC name of 3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid (CID 117446285) is 3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid?
The canonical SMILES for 3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid is COc1ccc(C(C)(C)CC(=O)O)cc1OC1CCC1.
What is the InChIKey of 3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid?
The InChIKey is VYFYARMNKLOJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-16(2,10-15(17)18)11-7-8-13(19-3)14(9-11)20-12-5-4-6-12/h7-9,12H,4-6,10H2,1-3H3,(H,17,18).
What are the key properties of 3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid?
3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 117446285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).