2-(1-chlorocyclobutyl)benzoic acid

C11H11ClO2 — CID 174912911

IUPAC2-(1-chlorocyclobutyl)benzoic acid
SMILESO=C(O)c1ccccc1C1(Cl)CCC1
InChIInChI=1S/C11H11ClO2/c12-11(6-3-7-11)9-5-2-1-4-8(9)10(13)14/h1-2,4-5H,3,6-7H2,(H,13,14)
InChIKeyQORLLLMZJMYVPB-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.00
Rot. Bonds2

About 2-(1-chlorocyclobutyl)benzoic acid

2-(1-chlorocyclobutyl)benzoic acid (PubChem CID 174912911) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-(1-chlorocyclobutyl)benzoic acid.

Molecular Properties

Compound Name2-(1-chlorocyclobutyl)benzoic acid
PubChem CID174912911
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name2-(1-chlorocyclobutyl)benzoic acid
SMILESO=C(O)c1ccccc1C1(Cl)CCC1
InChIInChI=1S/C11H11ClO2/c12-11(6-3-7-11)9-5-2-1-4-8(9)10(13)14/h1-2,4-5H,3,6-7H2,(H,13,14)
InChIKeyQORLLLMZJMYVPB-UHFFFAOYSA-N
XLogP3.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-phenylcyclohexyl)benzoic acid
CID 67822323
2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid
CID 84727333
2-(1-isocyanocyclopropyl)benzoic acid
CID 140726071
2-[1-(difluoromethyl)cyclopropyl]benzoic acid
CID 84723372
2-(4-hydroxypiperidin-4-yl)benzoic acid
CID 105477286
2-(1-propylcyclohexyl)benzoic acid
CID 174854619
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392
2-[2-(1-hydroxycyclopropyl)phenyl]-2-oxoacetic acid
CID 117109007
2-(1-pentylcyclohexyl)benzoic acid
CID 22401965
dichloropalladium;phthalic acid
CID 174947627

Frequently Asked Questions

What is the IUPAC name of 2-(1-chlorocyclobutyl)benzoic acid?
The IUPAC name of 2-(1-chlorocyclobutyl)benzoic acid (CID 174912911) is 2-(1-chlorocyclobutyl)benzoic acid.
What is the SMILES notation for 2-(1-chlorocyclobutyl)benzoic acid?
The canonical SMILES for 2-(1-chlorocyclobutyl)benzoic acid is O=C(O)c1ccccc1C1(Cl)CCC1.
What is the InChIKey of 2-(1-chlorocyclobutyl)benzoic acid?
The InChIKey is QORLLLMZJMYVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-11(6-3-7-11)9-5-2-1-4-8(9)10(13)14/h1-2,4-5H,3,6-7H2,(H,13,14).
What are the key properties of 2-(1-chlorocyclobutyl)benzoic acid?
2-(1-chlorocyclobutyl)benzoic acid has a molecular weight of 210.66 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chlorocyclobutyl)benzoic acid is sourced from PubChem (CID 174912911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).