[4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate

C25H22O7 — CID 58981515

IUPAC[4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C25H22O7/c1-3-16-29-20-8-4-18(5-9-20)24(27)31-22-10-6-19(7-11-22)25(28)32-23-14-12-21(13-15-23)30-17(2)26/h4-15H,3,16H2,1-2H3
InChIKeyYZKUAYNSPMUASS-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.84
Rot. Bonds8

About [4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate

[4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate (PubChem CID 58981515) has the molecular formula C25H22O7 and a molecular weight of 434.44 g/mol. Its IUPAC name is [4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate.

Molecular Properties

Compound Name[4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate
PubChem CID58981515
Molecular FormulaC25H22O7
Molecular Weight434.44 g/mol
Exact Mass434.14
IUPAC Name[4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C25H22O7/c1-3-16-29-20-8-4-18(5-9-20)24(27)31-22-10-6-19(7-11-22)25(28)32-23-14-12-21(13-15-23)30-17(2)26/h4-15H,3,16H2,1-2H3
InChIKeyYZKUAYNSPMUASS-UHFFFAOYSA-N
XLogP4.84
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-pentoxyphenyl) 4-acetyloxybenzoate
CID 101317512
(4-hydroxyphenyl) 4-propoxybenzoate
CID 22925850
[4-(4-propoxyphenoxy)carbonylphenyl] 4-octoxybenzoate
CID 101111531
[4-(4-pentoxybenzoyl)phenyl] 4-pentoxybenzoate
CID 21133479
(4-decoxyphenyl) 4-[7-[4-(4-decoxyphenoxy)carbonylphenoxy]heptoxy]benzoate
CID 102342037
[4-(4-undecoxybenzoyl)oxyphenyl] 4-undecoxybenzoate
CID 101367520
(4-heptoxyphenyl) 4-heptoxybenzoate
CID 71365288
[4-(4-octoxybenzoyl)oxyphenyl] 4-pentoxybenzoate
CID 100939275
(4-butoxyphenyl) 4-undecoxybenzoate
CID 21079902
(4-pentoxyphenyl) 4-hexoxybenzoate
CID 86218202
(4-hexoxyphenyl) 4-nonoxybenzoate
CID 14993431
[4-[4-[4-[4-(4-tetradecoxybenzoyl)oxybenzoyl]oxybenzoyl]phenoxy]carbonylphenyl] 4-tetradecoxybenzoate
CID 102299008

Frequently Asked Questions

What is the IUPAC name of [4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate?
The IUPAC name of [4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate (CID 58981515) is [4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate.
What is the SMILES notation for [4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate?
The canonical SMILES for [4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate is CCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(C)=O)cc3)cc2)cc1.
What is the InChIKey of [4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate?
The InChIKey is YZKUAYNSPMUASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O7/c1-3-16-29-20-8-4-18(5-9-20)24(27)31-22-10-6-19(7-11-22)25(28)32-23-14-12-21(13-15-23)30-17(2)26/h4-15H,3,16H2,1-2H3.
What are the key properties of [4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate?
[4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate has a molecular weight of 434.44 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate is sourced from PubChem (CID 58981515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).