3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid

C11H11ClO3 — CID 170716508

IUPAC3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C11H11ClO3/c12-8-1-3-9(4-2-8)15-10-5-7(6-10)11(13)14/h1-4,7,10H,5-6H2,(H,13,14)
InChIKeyFRQLRVBEPOWTCA-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.58
Rot. Bonds3

About 3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid

3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid (PubChem CID 170716508) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid
PubChem CID170716508
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C11H11ClO3/c12-8-1-3-9(4-2-8)15-10-5-7(6-10)11(13)14/h1-4,7,10H,5-6H2,(H,13,14)
InChIKeyFRQLRVBEPOWTCA-UHFFFAOYSA-N
XLogP2.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-chlorophenoxy)cyclobutyl]methylcarbamic acid
CID 118113368
3-[4-(N'-hydroxycarbamimidoyl)phenoxy]cyclobutane-1-carboxylic acid
CID 123332608
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
(1S,5R)-3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane;2,2,2-trifluoroacetic acid
CID 138597456
4-(4-chlorophenoxy)cyclohexan-1-one
CID 58923771
3-(4-chlorophenoxy)cyclohexan-1-ol
CID 123350797
tert-butyl (1R,5S)-3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 138623951
4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
CID 2735792
3-[4-(4-chlorophenyl)-7-hydroxy-3-propan-2-ylisoquinolin-1-yl]oxycyclobutane-1-carboxylic acid
CID 156880070
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid (CID 170716508) is 3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid is O=C(O)C1CC(Oc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid?
The InChIKey is FRQLRVBEPOWTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c12-8-1-3-9(4-2-8)15-10-5-7(6-10)11(13)14/h1-4,7,10H,5-6H2,(H,13,14).
What are the key properties of 3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid?
3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid has a molecular weight of 226.66 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 170716508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).