propyl 4-hydroxybenzoate

C20H24O6 — CID 66683808

IUPACpropyl 4-hydroxybenzoate
SMILESCCCOC(=O)c1ccc(O)cc1.CCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/2C10H12O3/c2*1-2-7-13-10(12)8-3-5-9(11)6-4-8/h2*3-6,11H,2,7H2,1H3
InChIKeyNJBNJRILTKLNQZ-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.92
Rot. Bonds6

About propyl 4-hydroxybenzoate

propyl 4-hydroxybenzoate (PubChem CID 66683808) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is propyl 4-hydroxybenzoate.

Molecular Properties

Compound Namepropyl 4-hydroxybenzoate
PubChem CID66683808
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Namepropyl 4-hydroxybenzoate
SMILESCCCOC(=O)c1ccc(O)cc1.CCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/2C10H12O3/c2*1-2-7-13-10(12)8-3-5-9(11)6-4-8/h2*3-6,11H,2,7H2,1H3
InChIKeyNJBNJRILTKLNQZ-UHFFFAOYSA-N
XLogP3.92
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
benzene-1,2-diol;propyl 4-hydroxybenzoate
CID 70157897
prop-1-ene;propyl 4-hydroxybenzoate
CID 67107873
copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 159081136
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062
butyl 4-hydroxybenzoate;ethyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 118197225
pentadecyl 4-hydroxybenzoate;tetradecyl 4-hydroxybenzoate
CID 161210354
4-propylbenzoic acid;propyl 4-hydroxybenzoate
CID 158237935
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
butane;docosyl 4-hydroxybenzoate
CID 175271638
propyl 4-hydroxybenzoate;propyl 2-phenylacetate
CID 174922489

Frequently Asked Questions

What is the IUPAC name of propyl 4-hydroxybenzoate?
The IUPAC name of propyl 4-hydroxybenzoate (CID 66683808) 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.CCCOC(=O)c1ccc(O)cc1.
What is the InChIKey of propyl 4-hydroxybenzoate?
The InChIKey is NJBNJRILTKLNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12O3/c2*1-2-7-13-10(12)8-3-5-9(11)6-4-8/h2*3-6,11H,2,7H2,1H3.
What are the key properties of propyl 4-hydroxybenzoate?
propyl 4-hydroxybenzoate has a molecular weight of 360.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-hydroxybenzoate is sourced from PubChem (CID 66683808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).