cyclopropyl 4-hydroxybenzoate

C10H10O3 — CID 175929910

IUPACcyclopropyl 4-hydroxybenzoate
SMILESO=C(OC1CC1)c1ccc(O)cc1
InChIInChI=1S/C10H10O3/c11-8-3-1-7(2-4-8)10(12)13-9-5-6-9/h1-4,9,11H,5-6H2
InChIKeyBQPOEMRMHGBWDJ-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.71
Rot. Bonds2

About cyclopropyl 4-hydroxybenzoate

cyclopropyl 4-hydroxybenzoate (PubChem CID 175929910) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is cyclopropyl 4-hydroxybenzoate.

Molecular Properties

Compound Namecyclopropyl 4-hydroxybenzoate
PubChem CID175929910
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Namecyclopropyl 4-hydroxybenzoate
SMILESO=C(OC1CC1)c1ccc(O)cc1
InChIInChI=1S/C10H10O3/c11-8-3-1-7(2-4-8)10(12)13-9-5-6-9/h1-4,9,11H,5-6H2
InChIKeyBQPOEMRMHGBWDJ-UHFFFAOYSA-N
XLogP1.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl 4-hydroxybenzoate?
The IUPAC name of cyclopropyl 4-hydroxybenzoate (CID 175929910) is cyclopropyl 4-hydroxybenzoate.
What is the SMILES notation for cyclopropyl 4-hydroxybenzoate?
The canonical SMILES for cyclopropyl 4-hydroxybenzoate is O=C(OC1CC1)c1ccc(O)cc1.
What is the InChIKey of cyclopropyl 4-hydroxybenzoate?
The InChIKey is BQPOEMRMHGBWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-8-3-1-7(2-4-8)10(12)13-9-5-6-9/h1-4,9,11H,5-6H2.
What are the key properties of cyclopropyl 4-hydroxybenzoate?
cyclopropyl 4-hydroxybenzoate has a molecular weight of 178.19 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 4-hydroxybenzoate is sourced from PubChem (CID 175929910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).