2-chloro-6-(oxetan-3-yl)benzoic acid

C10H9ClO3 — CID 129080591

IUPAC2-chloro-6-(oxetan-3-yl)benzoic acid
SMILESO=C(O)c1c(Cl)cccc1C1COC1
InChIInChI=1S/C10H9ClO3/c11-8-3-1-2-7(6-4-14-5-6)9(8)10(12)13/h1-3,6H,4-5H2,(H,12,13)
InChIKeySTPZNXWVFNHQNU-UHFFFAOYSA-N
MW212.63 g/mol
LogP2.15
Rot. Bonds2

About 2-chloro-6-(oxetan-3-yl)benzoic acid

2-chloro-6-(oxetan-3-yl)benzoic acid (PubChem CID 129080591) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 2-chloro-6-(oxetan-3-yl)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(oxetan-3-yl)benzoic acid
PubChem CID129080591
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name2-chloro-6-(oxetan-3-yl)benzoic acid
SMILESO=C(O)c1c(Cl)cccc1C1COC1
InChIInChI=1S/C10H9ClO3/c11-8-3-1-2-7(6-4-14-5-6)9(8)10(12)13/h1-3,6H,4-5H2,(H,12,13)
InChIKeySTPZNXWVFNHQNU-UHFFFAOYSA-N
XLogP2.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(oxetan-3-yl)benzoic acid?
The IUPAC name of 2-chloro-6-(oxetan-3-yl)benzoic acid (CID 129080591) is 2-chloro-6-(oxetan-3-yl)benzoic acid.
What is the SMILES notation for 2-chloro-6-(oxetan-3-yl)benzoic acid?
The canonical SMILES for 2-chloro-6-(oxetan-3-yl)benzoic acid is O=C(O)c1c(Cl)cccc1C1COC1.
What is the InChIKey of 2-chloro-6-(oxetan-3-yl)benzoic acid?
The InChIKey is STPZNXWVFNHQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c11-8-3-1-2-7(6-4-14-5-6)9(8)10(12)13/h1-3,6H,4-5H2,(H,12,13).
What are the key properties of 2-chloro-6-(oxetan-3-yl)benzoic acid?
2-chloro-6-(oxetan-3-yl)benzoic acid has a molecular weight of 212.63 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(oxetan-3-yl)benzoic acid is sourced from PubChem (CID 129080591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).