3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid

C15H19ClO3 — CID 117454433

IUPAC3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1ccc(OC2CCC2)c(Cl)c1)C(=O)O
InChIInChI=1S/C15H19ClO3/c1-15(2,14(17)18)9-10-6-7-13(12(16)8-10)19-11-4-3-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyIKBZDKZCMPPCCL-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.92
Rot. Bonds5

About 3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid

3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid (PubChem CID 117454433) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid
PubChem CID117454433
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1ccc(OC2CCC2)c(Cl)c1)C(=O)O
InChIInChI=1S/C15H19ClO3/c1-15(2,14(17)18)9-10-6-7-13(12(16)8-10)19-11-4-3-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyIKBZDKZCMPPCCL-UHFFFAOYSA-N
XLogP3.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid
CID 117425393
3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid
CID 117410573
N-[(3-chloro-4-cycloheptyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 82927497
1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol
CID 115005691
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2,2-dimethylpropanoic acid
CID 117492369
3-[3-chloro-4-(thian-4-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117497938
3-[3-chloro-4-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117395219
N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 63499759
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117427899
4-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]-2,2-dimethylbutanoic acid
CID 122127005
3-(3-chloro-4-pentan-3-ylphenyl)-2,2-dimethylpropanoic acid
CID 117454745
3-chloro-4-cyclopropyloxybenzoic acid;ethyl 3-chloro-4-cyclopropyloxybenzoate
CID 161018051

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid (CID 117454433) is 3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid is CC(C)(Cc1ccc(OC2CCC2)c(Cl)c1)C(=O)O.
What is the InChIKey of 3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid?
The InChIKey is IKBZDKZCMPPCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c1-15(2,14(17)18)9-10-6-7-13(12(16)8-10)19-11-4-3-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,17,18).
What are the key properties of 3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid?
3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid has a molecular weight of 282.77 g/mol, XLogP of 3.92, 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)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117454433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).