[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate

C23H20O7 — CID 144750223

IUPAC[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C23H20O7/c1-26-17-7-4-15(5-8-17)22(24)29-18-9-11-19(12-10-18)30-23(25)16-6-13-20(27-2)21(14-16)28-3/h4-14H,1-3H3
InChIKeyOXIMBVLWZRCZMV-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.15
Rot. Bonds7

About [4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate

[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate (PubChem CID 144750223) has the molecular formula C23H20O7 and a molecular weight of 408.41 g/mol. Its IUPAC name is [4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
PubChem CID144750223
Molecular FormulaC23H20O7
Molecular Weight408.41 g/mol
Exact Mass408.12
IUPAC Name[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C23H20O7/c1-26-17-7-4-15(5-8-17)22(24)29-18-9-11-19(12-10-18)30-23(25)16-6-13-20(27-2)21(14-16)28-3/h4-14H,1-3H3
InChIKeyOXIMBVLWZRCZMV-UHFFFAOYSA-N
XLogP4.15
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.15
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-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate
CID 19181553
[4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate
CID 144750312
(3,4-dimethylphenyl) 3,4-dimethoxybenzoate
CID 723808
(4-methoxyphenyl) 3-chloro-4-(4-methoxybenzoyl)oxybenzoate
CID 118425827
[3-chloro-4-(3,4-dimethoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 994063
[4-(2-methoxy-2-oxoethyl)phenyl] 3,4-dimethoxybenzoate
CID 51536723
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate
CID 71904208
[4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate
CID 3098065
3-[4-(3,4-dimethoxybenzoyl)oxyphenyl]prop-2-enoic acid
CID 70242776
[4-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]phenyl] 3,4-dimethoxybenzoate
CID 6124750
(4-acetylphenyl) 3-ethoxy-4-methoxybenzoate
CID 8764026
(2-acetyl-5-methoxyphenyl) 3,4-dimethoxybenzoate
CID 889085

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate?
The IUPAC name of [4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate (CID 144750223) is [4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate.
What is the SMILES notation for [4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate?
The canonical SMILES for [4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate is COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1.
What is the InChIKey of [4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate?
The InChIKey is OXIMBVLWZRCZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O7/c1-26-17-7-4-15(5-8-17)22(24)29-18-9-11-19(12-10-18)30-23(25)16-6-13-20(27-2)21(14-16)28-3/h4-14H,1-3H3.
What are the key properties of [4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate?
[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate has a molecular weight of 408.41 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate is sourced from PubChem (CID 144750223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).