4-phenylphenol;propyl 4-hydroxybenzoate

C22H22O4 — CID 174901062

IUPAC4-phenylphenol;propyl 4-hydroxybenzoate
SMILESCCCOC(=O)c1ccc(O)cc1.Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10O.C10H12O3/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2-7-13-10(12)8-3-5-9(11)6-4-8/h1-9,13H;3-6,11H,2,7H2,1H3
InChIKeyWJVDWPXWMFQQFO-UHFFFAOYSA-N
MW350.41 g/mol
LogP5.02
Rot. Bonds4

About 4-phenylphenol;propyl 4-hydroxybenzoate

4-phenylphenol;propyl 4-hydroxybenzoate (PubChem CID 174901062) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 4-phenylphenol;propyl 4-hydroxybenzoate.

Molecular Properties

Compound Name4-phenylphenol;propyl 4-hydroxybenzoate
PubChem CID174901062
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name4-phenylphenol;propyl 4-hydroxybenzoate
SMILESCCCOC(=O)c1ccc(O)cc1.Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10O.C10H12O3/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2-7-13-10(12)8-3-5-9(11)6-4-8/h1-9,13H;3-6,11H,2,7H2,1H3
InChIKeyWJVDWPXWMFQQFO-UHFFFAOYSA-N
XLogP5.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzene-1,2-diol;propyl 4-hydroxybenzoate
CID 70157897
propyl 4-hydroxybenzoate
CID 66683808
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
propyl 4-hydroxybenzoate;propyl 2-phenylacetate
CID 174922489
prop-1-ene;propyl 4-hydroxybenzoate
CID 67107873
copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 159081136
diphenyl-(4-propoxycarbonylphenyl)sulfanium
CID 164747685
propyl 4-(4-bromophenyl)benzoate
CID 54182451
1,1'-biphenyl;butyl benzoate
CID 67401065
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
butyl 4-hydroxybenzoate;ethyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 118197225
propyl 4-diphenylphosphorylbenzoate
CID 162415119

Frequently Asked Questions

What is the IUPAC name of 4-phenylphenol;propyl 4-hydroxybenzoate?
The IUPAC name of 4-phenylphenol;propyl 4-hydroxybenzoate (CID 174901062) is 4-phenylphenol;propyl 4-hydroxybenzoate.
What is the SMILES notation for 4-phenylphenol;propyl 4-hydroxybenzoate?
The canonical SMILES for 4-phenylphenol;propyl 4-hydroxybenzoate is CCCOC(=O)c1ccc(O)cc1.Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenylphenol;propyl 4-hydroxybenzoate?
The InChIKey is WJVDWPXWMFQQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C10H12O3/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2-7-13-10(12)8-3-5-9(11)6-4-8/h1-9,13H;3-6,11H,2,7H2,1H3.
What are the key properties of 4-phenylphenol;propyl 4-hydroxybenzoate?
4-phenylphenol;propyl 4-hydroxybenzoate has a molecular weight of 350.41 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylphenol;propyl 4-hydroxybenzoate is sourced from PubChem (CID 174901062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).