[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate

C18H18O4 — CID 2624699

IUPAC[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate
SMILESCc1cc(C)c(C(=O)COC(=O)c2ccc(O)cc2)cc1C
InChIInChI=1S/C18H18O4/c1-11-8-13(3)16(9-12(11)2)17(20)10-22-18(21)14-4-6-15(19)7-5-14/h4-9,19H,10H2,1-3H3
InChIKeyMFSFDOJYYRTNCW-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.36
Rot. Bonds4

About [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate

[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate (PubChem CID 2624699) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate
PubChem CID2624699
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate
SMILESCc1cc(C)c(C(=O)COC(=O)c2ccc(O)cc2)cc1C
InChIInChI=1S/C18H18O4/c1-11-8-13(3)16(9-12(11)2)17(20)10-22-18(21)14-4-6-15(19)7-5-14/h4-9,19H,10H2,1-3H3
InChIKeyMFSFDOJYYRTNCW-UHFFFAOYSA-N
XLogP3.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate 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-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate
CID 7776976
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-(carbamoylamino)benzoate
CID 2527120
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-(phenoxymethyl)benzoate
CID 7239727
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 6-chloropyridine-3-carboxylate
CID 2589575
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 882281
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methoxybenzoate
CID 16522195
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-bromo-4-methoxybenzoate
CID 7647915
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706658
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate
CID 7676596
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2,5-dimethylbenzoate
CID 2519588
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methyl-4-nitrobenzoate
CID 2488807
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-hydroxyphenyl)benzoate
CID 2479945

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate?
The IUPAC name of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate (CID 2624699) is [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate is Cc1cc(C)c(C(=O)COC(=O)c2ccc(O)cc2)cc1C.
What is the InChIKey of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate?
The InChIKey is MFSFDOJYYRTNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-11-8-13(3)16(9-12(11)2)17(20)10-22-18(21)14-4-6-15(19)7-5-14/h4-9,19H,10H2,1-3H3.
What are the key properties of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate?
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate has a molecular weight of 298.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate is sourced from PubChem (CID 2624699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).