4-propylbenzoic acid;propyl 4-hydroxybenzoate

C20H24O5 — CID 158237935

IUPAC4-propylbenzoic acid;propyl 4-hydroxybenzoate
SMILESCCCOC(=O)c1ccc(O)cc1.CCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H12O3.C10H12O2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;1-2-3-8-4-6-9(7-5-8)10(11)12/h3-6,11H,2,7H2,1H3;4-7H,2-3H2,1H3,(H,11,12)
InChIKeyGFESSGFQXLQCBL-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.30
Rot. Bonds6

About 4-propylbenzoic acid;propyl 4-hydroxybenzoate

4-propylbenzoic acid;propyl 4-hydroxybenzoate (PubChem CID 158237935) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-propylbenzoic acid;propyl 4-hydroxybenzoate.

Molecular Properties

Compound Name4-propylbenzoic acid;propyl 4-hydroxybenzoate
PubChem CID158237935
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name4-propylbenzoic acid;propyl 4-hydroxybenzoate
SMILESCCCOC(=O)c1ccc(O)cc1.CCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H12O3.C10H12O2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;1-2-3-8-4-6-9(7-5-8)10(11)12/h3-6,11H,2,7H2,1H3;4-7H,2-3H2,1H3,(H,11,12)
InChIKeyGFESSGFQXLQCBL-UHFFFAOYSA-N
XLogP4.30
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-hydroxybenzoate
CID 66683808
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate
CID 162013248
ethyl 4-hydroxybenzoate;propylbenzene
CID 174891390
(4-propoxycarbonylphenyl) 4-propylbenzoate
CID 54267228
benzene-1,2-diol;propyl 4-hydroxybenzoate
CID 70157897
ethyl 4-hydroxybenzoate;bis(4-hydroxybenzoic acid)
CID 162068565
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062
ethane;4-propylbenzoic acid
CID 91047964
prop-1-ene;propyl 4-hydroxybenzoate
CID 67107873
copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 159081136
propyl 4-hydroxybenzoate;propyl 2-phenylacetate
CID 174922489

Frequently Asked Questions

What is the IUPAC name of 4-propylbenzoic acid;propyl 4-hydroxybenzoate?
The IUPAC name of 4-propylbenzoic acid;propyl 4-hydroxybenzoate (CID 158237935) is 4-propylbenzoic acid;propyl 4-hydroxybenzoate.
What is the SMILES notation for 4-propylbenzoic acid;propyl 4-hydroxybenzoate?
The canonical SMILES for 4-propylbenzoic acid;propyl 4-hydroxybenzoate is CCCOC(=O)c1ccc(O)cc1.CCCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-propylbenzoic acid;propyl 4-hydroxybenzoate?
The InChIKey is GFESSGFQXLQCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.C10H12O2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;1-2-3-8-4-6-9(7-5-8)10(11)12/h3-6,11H,2,7H2,1H3;4-7H,2-3H2,1H3,(H,11,12).
What are the key properties of 4-propylbenzoic acid;propyl 4-hydroxybenzoate?
4-propylbenzoic acid;propyl 4-hydroxybenzoate has a molecular weight of 344.41 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylbenzoic acid;propyl 4-hydroxybenzoate is sourced from PubChem (CID 158237935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).