[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate

C22H18O4 — CID 576898

IUPAC[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H18O4/c1-15-3-7-17(8-4-15)21(23)25-19-11-13-20(14-12-19)26-22(24)18-9-5-16(2)6-10-18/h3-14H,1-2H3
InChIKeyOXCHCYYHWJRQJA-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.74
Rot. Bonds4

About [4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate

[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate (PubChem CID 576898) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is [4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate.

Molecular Properties

Compound Name[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
PubChem CID576898
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H18O4/c1-15-3-7-17(8-4-15)21(23)25-19-11-13-20(14-12-19)26-22(24)18-9-5-16(2)6-10-18/h3-14H,1-2H3
InChIKeyOXCHCYYHWJRQJA-UHFFFAOYSA-N
XLogP4.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388
[4-(4-methylphenyl)phenyl] 4-[2-(4-methylphenyl)-2-oxoacetyl]benzoate
CID 162123993
tris(4-methylphenyl) benzene-1,3,5-tricarboxylate
CID 54080093
[4-[2-[4-(4-methylbenzoyl)oxyphenyl]ethynyl]phenyl] 4-methylbenzoate
CID 170244704
methane;(4-methylphenyl) 4-chlorobenzoate
CID 158517384
[4-(4-methoxycarbonylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 59024973
ethane;[4-[(4-methylphenyl)diazenyl]phenyl] 4-methylbenzoate
CID 145376493
(4-methylphenyl) 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 59193574
ethane;[4-[(4-methylphenoxy)methoxy]phenyl] 4-methylbenzoate
CID 90859529
(4-methylphenyl) 4-propan-2-ylbenzoate
CID 1406523

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate?
The IUPAC name of [4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate (CID 576898) is [4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate.
What is the SMILES notation for [4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate?
The canonical SMILES for [4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate is Cc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of [4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate?
The InChIKey is OXCHCYYHWJRQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-15-3-7-17(8-4-15)21(23)25-19-11-13-20(14-12-19)26-22(24)18-9-5-16(2)6-10-18/h3-14H,1-2H3.
What are the key properties of [4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate?
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate has a molecular weight of 346.38 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate is sourced from PubChem (CID 576898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).