(5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate

C19H20O4 — CID 2425031

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1cccc(C)c1C
InChIInChI=1S/C19H20O4/c1-12-6-5-7-17(13(12)2)19(21)23-11-16-10-15(14(3)20)8-9-18(16)22-4/h5-10H,11H2,1-4H3
InChIKeyWQWHOBKESKSMFX-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.87
Rot. Bonds5

About (5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate

(5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate (PubChem CID 2425031) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate
PubChem CID2425031
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1cccc(C)c1C
InChIInChI=1S/C19H20O4/c1-12-6-5-7-17(13(12)2)19(21)23-11-16-10-15(14(3)20)8-9-18(16)22-4/h5-10H,11H2,1-4H3
InChIKeyWQWHOBKESKSMFX-UHFFFAOYSA-N
XLogP3.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate
CID 2693177
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
(5-acetyl-2-methoxyphenyl)methyl 2-(2-cyanophenyl)benzoate
CID 8701894
(5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate
CID 7429918
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
(5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate
CID 2602816
(5-acetyl-2-methoxyphenyl)methyl 3-cyanobenzoate
CID 7454549
(2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate
CID 18169991
(5-acetyl-2-methoxyphenyl)methyl 1-methylindole-3-carboxylate
CID 46822526
(5-acetyl-2-methoxyphenyl)methyl 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 24533805
(5-acetyl-2-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate
CID 8510785
(5-acetyl-2-ethoxyphenyl)methyl 3,4-dimethoxybenzoate
CID 2630514

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate (CID 2425031) is (5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate is COc1ccc(C(C)=O)cc1COC(=O)c1cccc(C)c1C.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate?
The InChIKey is WQWHOBKESKSMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-12-6-5-7-17(13(12)2)19(21)23-11-16-10-15(14(3)20)8-9-18(16)22-4/h5-10H,11H2,1-4H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate?
(5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate has a molecular weight of 312.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate is sourced from PubChem (CID 2425031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).