[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate

C19H20O4 — CID 7776976

IUPAC[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate
SMILESCc1cc(C(=O)COC(=O)c2ccc(O)cc2)c(C)c(C)c1C
InChIInChI=1S/C19H20O4/c1-11-9-17(14(4)13(3)12(11)2)18(21)10-23-19(22)15-5-7-16(20)8-6-15/h5-9,20H,10H2,1-4H3
InChIKeyGQKODVXNRWMWQI-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.67
Rot. Bonds4

About [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate

[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate (PubChem CID 7776976) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate
PubChem CID7776976
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate
SMILESCc1cc(C(=O)COC(=O)c2ccc(O)cc2)c(C)c(C)c1C
InChIInChI=1S/C19H20O4/c1-11-9-17(14(4)13(3)12(11)2)18(21)10-23-19(22)15-5-7-16(20)8-6-15/h5-9,20H,10H2,1-4H3
InChIKeyGQKODVXNRWMWQI-UHFFFAOYSA-N
XLogP3.67
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate
CID 2624699
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate
CID 7783733
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 27011600
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate
CID 42984534
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate
CID 18268152
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-hydroxyphenyl)benzoate
CID 2479945
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-carboxylate
CID 7776240
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-bromofuran-2-carboxylate
CID 8014088
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7967540
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 882281
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765097
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-(carbamoylamino)benzoate
CID 2527120

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate?
The IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate (CID 7776976) is [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate is Cc1cc(C(=O)COC(=O)c2ccc(O)cc2)c(C)c(C)c1C.
What is the InChIKey of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate?
The InChIKey is GQKODVXNRWMWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-11-9-17(14(4)13(3)12(11)2)18(21)10-23-19(22)15-5-7-16(20)8-6-15/h5-9,20H,10H2,1-4H3.
What are the key properties of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate?
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate has a molecular weight of 312.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate is sourced from PubChem (CID 7776976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).