3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid

C14H17ClO3 — CID 117425393

IUPAC3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid
SMILESCC(Cc1ccc(OC2CCC2)c(Cl)c1)C(=O)O
InChIInChI=1S/C14H17ClO3/c1-9(14(16)17)7-10-5-6-13(12(15)8-10)18-11-3-2-4-11/h5-6,8-9,11H,2-4,7H2,1H3,(H,16,17)
InChIKeyVGQPQKVADPHILT-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.53
Rot. Bonds5

About 3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid

3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid (PubChem CID 117425393) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid
PubChem CID117425393
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid
SMILESCC(Cc1ccc(OC2CCC2)c(Cl)c1)C(=O)O
InChIInChI=1S/C14H17ClO3/c1-9(14(16)17)7-10-5-6-13(12(15)8-10)18-11-3-2-4-11/h5-6,8-9,11H,2-4,7H2,1H3,(H,16,17)
InChIKeyVGQPQKVADPHILT-UHFFFAOYSA-N
XLogP3.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol
CID 115005691
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]-2-methylpropanoic acid
CID 117474871
3-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 83549965
3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid
CID 117454433
3-[3-methoxy-4-(thietan-3-yloxy)phenyl]-2-methylpropanoic acid
CID 117453816
3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid
CID 117419672
2-amino-3-[3-chloro-4-(oxetan-3-yloxy)phenyl]propanoic acid
CID 117431915
3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid
CID 68828892
3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid
CID 83745272
3-amino-3-(3-chloro-4-cyclobutyloxyphenyl)propanoic acid
CID 117427330
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117473404
3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid
CID 117442816

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid (CID 117425393) is 3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid is CC(Cc1ccc(OC2CCC2)c(Cl)c1)C(=O)O.
What is the InChIKey of 3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid?
The InChIKey is VGQPQKVADPHILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-9(14(16)17)7-10-5-6-13(12(15)8-10)18-11-3-2-4-11/h5-6,8-9,11H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid?
3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid has a molecular weight of 268.74 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 117425393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).