(2-benzoyl-4,5-dimethoxyphenyl) benzoate

C22H18O5 — CID 141249986

IUPAC(2-benzoyl-4,5-dimethoxyphenyl) benzoate
SMILESCOc1cc(OC(=O)c2ccccc2)c(C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C22H18O5/c1-25-19-13-17(21(23)15-9-5-3-6-10-15)18(14-20(19)26-2)27-22(24)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyIVJXQLUOKLQGJN-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.15
Rot. Bonds6

About (2-benzoyl-4,5-dimethoxyphenyl) benzoate

(2-benzoyl-4,5-dimethoxyphenyl) benzoate (PubChem CID 141249986) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is (2-benzoyl-4,5-dimethoxyphenyl) benzoate.

Molecular Properties

Compound Name(2-benzoyl-4,5-dimethoxyphenyl) benzoate
PubChem CID141249986
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name(2-benzoyl-4,5-dimethoxyphenyl) benzoate
SMILESCOc1cc(OC(=O)c2ccccc2)c(C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C22H18O5/c1-25-19-13-17(21(23)15-9-5-3-6-10-15)18(14-20(19)26-2)27-22(24)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyIVJXQLUOKLQGJN-UHFFFAOYSA-N
XLogP4.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-benzoyl-4,5-dimethoxyphenyl) benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-benzoyl-4,5-dimethoxyphenyl) propanoate
CID 69459736
(2-benzoyl-4,6-dimethoxyphenyl) benzoate
CID 141250031
(12,19-dibenzoyloxy-6,13,20-trimethoxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl) benzoate
CID 100914359
(4-formyl-2,5-dimethoxyphenyl) benzoate
CID 71512769
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
[2-(2-benzoyloxy-4,5-dibromobenzoyl)-4,5-dibromophenyl] benzoate
CID 141250024
(6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone
CID 163828161
(3-amino-4-methoxyphenyl) benzoate
CID 59041635
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
[4-(2,3-dihydroxy-4-methoxybenzoyl)-2,6-dihydroxyphenyl] benzoate
CID 129260019
bis[2-benzoyl-4-(hydroxymethyl)-5-methoxyphenyl] (Z)-but-2-enedioate
CID 70542199
3,4-dibenzoyloxy-5-methoxybenzoic acid
CID 90121898

Frequently Asked Questions

What is the IUPAC name of (2-benzoyl-4,5-dimethoxyphenyl) benzoate?
The IUPAC name of (2-benzoyl-4,5-dimethoxyphenyl) benzoate (CID 141249986) is (2-benzoyl-4,5-dimethoxyphenyl) benzoate.
What is the SMILES notation for (2-benzoyl-4,5-dimethoxyphenyl) benzoate?
The canonical SMILES for (2-benzoyl-4,5-dimethoxyphenyl) benzoate is COc1cc(OC(=O)c2ccccc2)c(C(=O)c2ccccc2)cc1OC.
What is the InChIKey of (2-benzoyl-4,5-dimethoxyphenyl) benzoate?
The InChIKey is IVJXQLUOKLQGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-25-19-13-17(21(23)15-9-5-3-6-10-15)18(14-20(19)26-2)27-22(24)16-11-7-4-8-12-16/h3-14H,1-2H3.
What are the key properties of (2-benzoyl-4,5-dimethoxyphenyl) benzoate?
(2-benzoyl-4,5-dimethoxyphenyl) benzoate has a molecular weight of 362.38 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoyl-4,5-dimethoxyphenyl) benzoate is sourced from PubChem (CID 141249986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).