3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid

C12H12Cl2O3 — CID 65457585

IUPAC3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(Cl)c1OCC1CCC1
InChIInChI=1S/C12H12Cl2O3/c13-8-4-9(12(15)16)11(10(14)5-8)17-6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,15,16)
InChIKeyFMMLONVPYGJASN-UHFFFAOYSA-N
MW275.13 g/mol
LogP3.87
Rot. Bonds4

About 3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid

3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid (PubChem CID 65457585) has the molecular formula C12H12Cl2O3 and a molecular weight of 275.13 g/mol. Its IUPAC name is 3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid
PubChem CID65457585
Molecular FormulaC12H12Cl2O3
Molecular Weight275.13 g/mol
Exact Mass274.02
IUPAC Name3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(Cl)c1OCC1CCC1
InChIInChI=1S/C12H12Cl2O3/c13-8-4-9(12(15)16)11(10(14)5-8)17-6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,15,16)
InChIKeyFMMLONVPYGJASN-UHFFFAOYSA-N
XLogP3.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(cyclobutylmethoxy)-3-methoxybenzoic acid
CID 113438811
5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid
CID 104665725
3-chloro-2-(cyclobutylmethoxy)benzoic acid
CID 112611920
3,5-dichloro-2-(3-cyclopentyl-2-hydroxypropoxy)benzoic acid
CID 103158696
1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone
CID 117384912
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-dichlorobenzoic acid
CID 66418533
1-(bromomethyl)-3,5-dichloro-2-(cyclobutylmethoxy)benzene
CID 65458771
3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
CID 43516035
3,5-dichloro-2-(3-fluoropropoxy)benzoic acid
CID 81106842
2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine
CID 65459079
4-chloro-2-(cyclohexylmethoxy)benzoic acid
CID 61379401
3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid
CID 64552928

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid?
The IUPAC name of 3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid (CID 65457585) is 3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid?
The canonical SMILES for 3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid is O=C(O)c1cc(Cl)cc(Cl)c1OCC1CCC1.
What is the InChIKey of 3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid?
The InChIKey is FMMLONVPYGJASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O3/c13-8-4-9(12(15)16)11(10(14)5-8)17-6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,15,16).
What are the key properties of 3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid?
3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid has a molecular weight of 275.13 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid is sourced from PubChem (CID 65457585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).