[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate

C23H20O5 — CID 118103231

IUPAC[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C23H20O5/c1-3-16-4-6-17(7-5-16)22(24)27-20-12-14-21(15-13-20)28-23(25)18-8-10-19(26-2)11-9-18/h4-15H,3H2,1-2H3
InChIKeyIWXNLTXDVYVSLK-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.70
Rot. Bonds6

About [4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate

[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate (PubChem CID 118103231) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is [4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
PubChem CID118103231
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Name[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C23H20O5/c1-3-16-4-6-17(7-5-16)22(24)27-20-12-14-21(15-13-20)28-23(25)18-8-10-19(26-2)11-9-18/h4-15H,3H2,1-2H3
InChIKeyIWXNLTXDVYVSLK-UHFFFAOYSA-N
XLogP4.70
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate
CID 59281890
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
(4-ethylphenyl) 4-chlorobenzoate
CID 695931
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
(4-ethylphenyl) 4-propan-2-ylbenzoate
CID 1406527
[4-[2-(4-propylphenyl)ethynyl]phenyl] 4-methoxybenzoate
CID 145128075
(4-prop-2-enoylphenyl) 4-ethylbenzoate
CID 123505415
[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 902766
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
(4-methoxy-3-methylphenyl) 4-ethylbenzoate
CID 145123252

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate?
The IUPAC name of [4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate (CID 118103231) is [4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate.
What is the SMILES notation for [4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate?
The canonical SMILES for [4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate is CCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of [4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate?
The InChIKey is IWXNLTXDVYVSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O5/c1-3-16-4-6-17(7-5-16)22(24)27-20-12-14-21(15-13-20)28-23(25)18-8-10-19(26-2)11-9-18/h4-15H,3H2,1-2H3.
What are the key properties of [4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate?
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate has a molecular weight of 376.41 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate is sourced from PubChem (CID 118103231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).