[2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate

C19H20O5 — CID 2513375

IUPAC[2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H20O5/c1-12-8-9-13(2)14(10-12)15(20)11-24-19(21)18-16(22-3)6-5-7-17(18)23-4/h5-10H,11H2,1-4H3
InChIKeyPXIXWXGPERPQGF-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.36
Rot. Bonds6

About [2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate

[2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate (PubChem CID 2513375) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
PubChem CID2513375
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name[2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H20O5/c1-12-8-9-13(2)14(10-12)15(20)11-24-19(21)18-16(22-3)6-5-7-17(18)23-4/h5-10H,11H2,1-4H3
InChIKeyPXIXWXGPERPQGF-UHFFFAOYSA-N
XLogP3.36
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dimethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 2572005
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2,5-dimethylbenzoate
CID 2519588
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431484
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 882281
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2,5-dimethylbenzoate
CID 23732985
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 46641142
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681082
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501118
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-bromobenzoate
CID 2565891
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-chlorobenzoate
CID 882294
bis[2-(2,5-dimethylphenyl)-2-oxoethyl] (E)-but-2-enedioate
CID 46803606
[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519990

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate?
The IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate (CID 2513375) is [2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate.
What is the SMILES notation for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate?
The canonical SMILES for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)OCC(=O)c1cc(C)ccc1C.
What is the InChIKey of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate?
The InChIKey is PXIXWXGPERPQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-12-8-9-13(2)14(10-12)15(20)11-24-19(21)18-16(22-3)6-5-7-17(18)23-4/h5-10H,11H2,1-4H3.
What are the key properties of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate?
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate has a molecular weight of 328.36 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate is sourced from PubChem (CID 2513375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).