(2-benzoyl-4,6-dimethylphenyl) benzoate

C22H18O3 — CID 141250028

IUPAC(2-benzoyl-4,6-dimethylphenyl) benzoate
SMILESCc1cc(C)c(OC(=O)c2ccccc2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C22H18O3/c1-15-13-16(2)21(25-22(24)18-11-7-4-8-12-18)19(14-15)20(23)17-9-5-3-6-10-17/h3-14H,1-2H3
InChIKeyRECVNVURHUISHC-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.75
Rot. Bonds4

About (2-benzoyl-4,6-dimethylphenyl) benzoate

(2-benzoyl-4,6-dimethylphenyl) benzoate (PubChem CID 141250028) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2-benzoyl-4,6-dimethylphenyl) benzoate.

Molecular Properties

Compound Name(2-benzoyl-4,6-dimethylphenyl) benzoate
PubChem CID141250028
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name(2-benzoyl-4,6-dimethylphenyl) benzoate
SMILESCc1cc(C)c(OC(=O)c2ccccc2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C22H18O3/c1-15-13-16(2)21(25-22(24)18-11-7-4-8-12-18)19(14-15)20(23)17-9-5-3-6-10-17/h3-14H,1-2H3
InChIKeyRECVNVURHUISHC-UHFFFAOYSA-N
XLogP4.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4,6-trimethyl-7-oxocyclohepta-1,3,5-trien-1-yl) benzoate
CID 23741616
(2-acetyl-4,6-dimethylphenyl) 4-methylbenzoate
CID 13190826
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
(2-benzoyl-4,6-dimethoxyphenyl) benzoate
CID 141250031
(3,4-dimethoxy-5-methylphenyl) benzoate
CID 71511932
[4-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenyl] benzoate
CID 23593069
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
2-acetyloxy-3,5-dimethylbenzoic acid
CID 50883231
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
(3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone
CID 132610001
ethyl 3-benzoyl-5,7-dimethylquinoline-2-carboxylate
CID 176908700
[4-(4-methoxy-2,3,5-trimethylphenyl)-2,3,6-trimethylphenyl] benzoate
CID 58805684

Frequently Asked Questions

What is the IUPAC name of (2-benzoyl-4,6-dimethylphenyl) benzoate?
The IUPAC name of (2-benzoyl-4,6-dimethylphenyl) benzoate (CID 141250028) is (2-benzoyl-4,6-dimethylphenyl) benzoate.
What is the SMILES notation for (2-benzoyl-4,6-dimethylphenyl) benzoate?
The canonical SMILES for (2-benzoyl-4,6-dimethylphenyl) benzoate is Cc1cc(C)c(OC(=O)c2ccccc2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of (2-benzoyl-4,6-dimethylphenyl) benzoate?
The InChIKey is RECVNVURHUISHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O3/c1-15-13-16(2)21(25-22(24)18-11-7-4-8-12-18)19(14-15)20(23)17-9-5-3-6-10-17/h3-14H,1-2H3.
What are the key properties of (2-benzoyl-4,6-dimethylphenyl) benzoate?
(2-benzoyl-4,6-dimethylphenyl) benzoate has a molecular weight of 330.38 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoyl-4,6-dimethylphenyl) benzoate is sourced from PubChem (CID 141250028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).