4-chloro-2-cyclobutyloxybenzoic acid

C11H11ClO3 — CID 63082704

IUPAC4-chloro-2-cyclobutyloxybenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1OC1CCC1
InChIInChI=1S/C11H11ClO3/c12-7-4-5-9(11(13)14)10(6-7)15-8-2-1-3-8/h4-6,8H,1-3H2,(H,13,14)
InChIKeyFUBLUXGQXSPXLD-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.97
Rot. Bonds3

About 4-chloro-2-cyclobutyloxybenzoic acid

4-chloro-2-cyclobutyloxybenzoic acid (PubChem CID 63082704) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is 4-chloro-2-cyclobutyloxybenzoic acid.

Molecular Properties

Compound Name4-chloro-2-cyclobutyloxybenzoic acid
PubChem CID63082704
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name4-chloro-2-cyclobutyloxybenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1OC1CCC1
InChIInChI=1S/C11H11ClO3/c12-7-4-5-9(11(13)14)10(6-7)15-8-2-1-3-8/h4-6,8H,1-3H2,(H,13,14)
InChIKeyFUBLUXGQXSPXLD-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
4-chloro-2-cyclohex-2-en-1-yloxybenzoic acid
CID 114619545
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632
5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid
CID 55138471
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
CID 76985015
4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277
5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114340744
4-chloro-2-(cyclohexylmethoxy)benzoic acid
CID 61379401
4-chloro-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79898959

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclobutyloxybenzoic acid?
The IUPAC name of 4-chloro-2-cyclobutyloxybenzoic acid (CID 63082704) is 4-chloro-2-cyclobutyloxybenzoic acid.
What is the SMILES notation for 4-chloro-2-cyclobutyloxybenzoic acid?
The canonical SMILES for 4-chloro-2-cyclobutyloxybenzoic acid is O=C(O)c1ccc(Cl)cc1OC1CCC1.
What is the InChIKey of 4-chloro-2-cyclobutyloxybenzoic acid?
The InChIKey is FUBLUXGQXSPXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c12-7-4-5-9(11(13)14)10(6-7)15-8-2-1-3-8/h4-6,8H,1-3H2,(H,13,14).
What are the key properties of 4-chloro-2-cyclobutyloxybenzoic acid?
4-chloro-2-cyclobutyloxybenzoic acid has a molecular weight of 226.66 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclobutyloxybenzoic acid is sourced from PubChem (CID 63082704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).