[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate

C21H16O5 — CID 143452404

IUPAC[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
SMILESCC(=O)Oc1ccc(-c2ccc(OC(=O)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C21H16O5/c1-14(22)25-19-10-4-15(5-11-19)16-6-12-20(13-7-16)26-21(24)17-2-8-18(23)9-3-17/h2-13,23H,1H3
InChIKeyJODDDVZTBCFOOQ-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.20
Rot. Bonds4

About [4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate

[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate (PubChem CID 143452404) has the molecular formula C21H16O5 and a molecular weight of 348.35 g/mol. Its IUPAC name is [4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
PubChem CID143452404
Molecular FormulaC21H16O5
Molecular Weight348.35 g/mol
Exact Mass348.10
IUPAC Name[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
SMILESCC(=O)Oc1ccc(-c2ccc(OC(=O)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C21H16O5/c1-14(22)25-19-10-4-15(5-11-19)16-6-12-20(13-7-16)26-21(24)17-2-8-18(23)9-3-17/h2-13,23H,1H3
InChIKeyJODDDVZTBCFOOQ-UHFFFAOYSA-N
XLogP4.20
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
CID 166041764
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate
CID 54018499
(4-hydroxyphenyl) 4-carboxyoxybenzoate
CID 126668327
(4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate
CID 66793522
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388
ethyl 4-(4-acetyloxyphenyl)benzoate
CID 122206053
[4-(4-methylphenyl)phenyl] 4-[2-(4-methylphenyl)-2-oxoacetyl]benzoate
CID 162123993

Frequently Asked Questions

What is the IUPAC name of [4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate?
The IUPAC name of [4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate (CID 143452404) is [4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate.
What is the SMILES notation for [4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate?
The canonical SMILES for [4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate is CC(=O)Oc1ccc(-c2ccc(OC(=O)c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of [4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate?
The InChIKey is JODDDVZTBCFOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O5/c1-14(22)25-19-10-4-15(5-11-19)16-6-12-20(13-7-16)26-21(24)17-2-8-18(23)9-3-17/h2-13,23H,1H3.
What are the key properties of [4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate?
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate has a molecular weight of 348.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate is sourced from PubChem (CID 143452404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).