propyl 4-hydroxybenzoate

C10H12O3 — CID 7175

💊View drug profile → propylparaben
IUPACpropyl 4-hydroxybenzoate
SMILESCCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
InChIKeyQELSKZZBTMNZEB-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.96
Rot. Bonds3

About propyl 4-hydroxybenzoate

propyl 4-hydroxybenzoate (PubChem CID 7175) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is propyl 4-hydroxybenzoate.

Molecular Properties

Compound Namepropyl 4-hydroxybenzoate
PubChem CID7175
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namepropyl 4-hydroxybenzoate
SMILESCCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
InChIKeyQELSKZZBTMNZEB-UHFFFAOYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxybenzoic Acid
CID 135
Methylparaben
CID 7456
Butylparaben
CID 7184
Methyl Salicylate
CID 4133
Propyl Gallate
CID 4947
Ethylparaben
CID 8434
Benzyl Salicylate
CID 8363
4'-Hydroxyacetophenone
CID 7469
Benzyl 4-Hydroxybenzoate
CID 7180
2-Ethylhexyl salicylate
CID 8364
Ethyl Salicylate
CID 8365
Heptyl p-hydroxybenzoate
CID 14138

Frequently Asked Questions

What is the IUPAC name of propyl 4-hydroxybenzoate?
The IUPAC name of propyl 4-hydroxybenzoate (CID 7175) is propyl 4-hydroxybenzoate.
What is the SMILES notation for propyl 4-hydroxybenzoate?
The canonical SMILES for propyl 4-hydroxybenzoate is CCCOC(=O)c1ccc(O)cc1.
What is the InChIKey of propyl 4-hydroxybenzoate?
The InChIKey is QELSKZZBTMNZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3.
What are the key properties of propyl 4-hydroxybenzoate?
propyl 4-hydroxybenzoate has a molecular weight of 180.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-hydroxybenzoate is sourced from PubChem (CID 7175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).