3-(2-hydroxycyclopropyl)benzoic acid

C10H10O3 — CID 115015082

IUPAC3-(2-hydroxycyclopropyl)benzoic acid
SMILESO=C(O)c1cccc(C2CC2O)c1
InChIInChI=1S/C10H10O3/c11-9-5-8(9)6-2-1-3-7(4-6)10(12)13/h1-4,8-9,11H,5H2,(H,12,13)
InChIKeyKOFIEEAPOAPHCH-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.23
Rot. Bonds2

About 3-(2-hydroxycyclopropyl)benzoic acid

3-(2-hydroxycyclopropyl)benzoic acid (PubChem CID 115015082) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-(2-hydroxycyclopropyl)benzoic acid.

Molecular Properties

Compound Name3-(2-hydroxycyclopropyl)benzoic acid
PubChem CID115015082
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name3-(2-hydroxycyclopropyl)benzoic acid
SMILESO=C(O)c1cccc(C2CC2O)c1
InChIInChI=1S/C10H10O3/c11-9-5-8(9)6-2-1-3-7(4-6)10(12)13/h1-4,8-9,11H,5H2,(H,12,13)
InChIKeyKOFIEEAPOAPHCH-UHFFFAOYSA-N
XLogP1.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxycyclopropyl)benzoic acid?
The IUPAC name of 3-(2-hydroxycyclopropyl)benzoic acid (CID 115015082) is 3-(2-hydroxycyclopropyl)benzoic acid.
What is the SMILES notation for 3-(2-hydroxycyclopropyl)benzoic acid?
The canonical SMILES for 3-(2-hydroxycyclopropyl)benzoic acid is O=C(O)c1cccc(C2CC2O)c1.
What is the InChIKey of 3-(2-hydroxycyclopropyl)benzoic acid?
The InChIKey is KOFIEEAPOAPHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-9-5-8(9)6-2-1-3-7(4-6)10(12)13/h1-4,8-9,11H,5H2,(H,12,13).
What are the key properties of 3-(2-hydroxycyclopropyl)benzoic acid?
3-(2-hydroxycyclopropyl)benzoic acid has a molecular weight of 178.19 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxycyclopropyl)benzoic acid is sourced from PubChem (CID 115015082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).