(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate

C18H18O7 — CID 122207257

IUPAC(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OC(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H18O7/c1-21-11-5-7-15(23-3)13(9-11)17(19)25-18(20)14-10-12(22-2)6-8-16(14)24-4/h5-10H,1-4H3
InChIKeyZTZDVKCQLNGDFW-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.72
Rot. Bonds6

About (2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate

(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate (PubChem CID 122207257) has the molecular formula C18H18O7 and a molecular weight of 346.34 g/mol. Its IUPAC name is (2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
PubChem CID122207257
Molecular FormulaC18H18O7
Molecular Weight346.34 g/mol
Exact Mass346.11
IUPAC Name(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OC(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H18O7/c1-21-11-5-7-15(23-3)13(9-11)17(19)25-18(20)14-10-12(22-2)6-8-16(14)24-4/h5-10H,1-4H3
InChIKeyZTZDVKCQLNGDFW-UHFFFAOYSA-N
XLogP2.72
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl 2,5-dimethoxybenzoate
CID 116862870
(2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate
CID 171476388
1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone
CID 79492414
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone
CID 82626892
2-bromo-1-(2,5-dimethoxyphenyl)-2,2-difluoroethanone
CID 146006289
butyl 2,5-dimethoxybenzenecarboperoxoate
CID 173266594
1-(2,5-dimethoxyphenyl)-3-methylbut-2-en-1-one
CID 14222811
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
methyl 2-acetyloxy-5-methoxybenzoate
CID 131843602
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7628154
butan-2-yl 2,5-dimethoxybenzenecarboperoxoate
CID 173265640
(4-bromophenyl)methyl 2,5-dimethoxybenzoate
CID 43024000

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate?
The IUPAC name of (2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate (CID 122207257) is (2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate.
What is the SMILES notation for (2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate?
The canonical SMILES for (2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate is COc1ccc(OC)c(C(=O)OC(=O)c2cc(OC)ccc2OC)c1.
What is the InChIKey of (2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate?
The InChIKey is ZTZDVKCQLNGDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O7/c1-21-11-5-7-15(23-3)13(9-11)17(19)25-18(20)14-10-12(22-2)6-8-16(14)24-4/h5-10H,1-4H3.
What are the key properties of (2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate?
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate has a molecular weight of 346.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate is sourced from PubChem (CID 122207257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).