[4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate

C24H20O6 — CID 58960600

IUPAC[4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate
SMILESCC(=O)Oc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)c(C)c1
InChIInChI=1S/C24H20O6/c1-15-4-6-18(7-5-15)23(26)29-20-10-8-19(9-11-20)24(27)30-22-13-12-21(14-16(22)2)28-17(3)25/h4-14H,1-3H3
InChIKeyVFKJAWNIQIXCOR-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.67
Rot. Bonds5

About [4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate

[4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate (PubChem CID 58960600) has the molecular formula C24H20O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is [4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate.

Molecular Properties

Compound Name[4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate
PubChem CID58960600
Molecular FormulaC24H20O6
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name[4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate
SMILESCC(=O)Oc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)c(C)c1
InChIInChI=1S/C24H20O6/c1-15-4-6-18(7-5-15)23(26)29-20-10-8-19(9-11-20)24(27)30-22-13-12-21(14-16(22)2)28-17(3)25/h4-14H,1-3H3
InChIKeyVFKJAWNIQIXCOR-UHFFFAOYSA-N
XLogP4.67
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-hydroxybenzoyl)oxy-2-methylphenyl] 4-methylbenzoate
CID 54342277
[4-(2,4-dimethylphenoxy)carbonylphenyl] 4-methoxybenzoate;sulfane
CID 144914302
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
(4-methylphenyl) 4-methoxy-3-methylbenzoate
CID 145312740
[3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 118547379
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
[3-methyl-4-[4-(sulfanylmethoxy)benzoyl]oxyphenyl] 4-(sulfanylmethoxy)benzoate
CID 170539195
(4-benzoyloxy-2-methylphenyl) 4-hydroxybenzoate
CID 89390989
[4-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienoyl]oxy-3-methylphenyl] 4-methylbenzoate
CID 155259582
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
(4-acetyloxy-3-methylphenyl) 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;4-(4-methylphenoxy)carbonyloxybutyl prop-2-enoate
CID 165046186
[2-methyl-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxybenzoyl]oxyphenyl] 4-methylbenzoate
CID 58583796

Frequently Asked Questions

What is the IUPAC name of [4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate?
The IUPAC name of [4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate (CID 58960600) is [4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate.
What is the SMILES notation for [4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate?
The canonical SMILES for [4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate is CC(=O)Oc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)c(C)c1.
What is the InChIKey of [4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate?
The InChIKey is VFKJAWNIQIXCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O6/c1-15-4-6-18(7-5-15)23(26)29-20-10-8-19(9-11-20)24(27)30-22-13-12-21(14-16(22)2)28-17(3)25/h4-14H,1-3H3.
What are the key properties of [4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate?
[4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate has a molecular weight of 404.42 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate is sourced from PubChem (CID 58960600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).