methyl 2,4-dimethoxy-6-phenacylbenzoate

C18H18O5 — CID 10358262

IUPACmethyl 2,4-dimethoxy-6-phenacylbenzoate
SMILESCOC(=O)c1c(CC(=O)c2ccccc2)cc(OC)cc1OC
InChIInChI=1S/C18H18O5/c1-21-14-9-13(10-15(19)12-7-5-4-6-8-12)17(18(20)23-3)16(11-14)22-2/h4-9,11H,10H2,1-3H3
InChIKeyYSAHEJVAMIZRNJ-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.92
Rot. Bonds6

About methyl 2,4-dimethoxy-6-phenacylbenzoate

methyl 2,4-dimethoxy-6-phenacylbenzoate (PubChem CID 10358262) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is methyl 2,4-dimethoxy-6-phenacylbenzoate.

Molecular Properties

Compound Namemethyl 2,4-dimethoxy-6-phenacylbenzoate
PubChem CID10358262
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Namemethyl 2,4-dimethoxy-6-phenacylbenzoate
SMILESCOC(=O)c1c(CC(=O)c2ccccc2)cc(OC)cc1OC
InChIInChI=1S/C18H18O5/c1-21-14-9-13(10-15(19)12-7-5-4-6-8-12)17(18(20)23-3)16(11-14)22-2/h4-9,11H,10H2,1-3H3
InChIKeyYSAHEJVAMIZRNJ-UHFFFAOYSA-N
XLogP2.92
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
CID 141326808
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
1-phenyl-2-(2,3,4-trimethoxyphenyl)ethanone
CID 10108046
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione
CID 90718650
(4,5-dimethoxy-2-phenacylphenyl) acetate
CID 70083243
2-phenylsulfanyl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191547
methyl 3,5-dimethoxy-2-propanoylbenzoate
CID 6710788
methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid
CID 10756617
phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70015637
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethoxy-6-phenacylbenzoate?
The IUPAC name of methyl 2,4-dimethoxy-6-phenacylbenzoate (CID 10358262) is methyl 2,4-dimethoxy-6-phenacylbenzoate.
What is the SMILES notation for methyl 2,4-dimethoxy-6-phenacylbenzoate?
The canonical SMILES for methyl 2,4-dimethoxy-6-phenacylbenzoate is COC(=O)c1c(CC(=O)c2ccccc2)cc(OC)cc1OC.
What is the InChIKey of methyl 2,4-dimethoxy-6-phenacylbenzoate?
The InChIKey is YSAHEJVAMIZRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-21-14-9-13(10-15(19)12-7-5-4-6-8-12)17(18(20)23-3)16(11-14)22-2/h4-9,11H,10H2,1-3H3.
What are the key properties of methyl 2,4-dimethoxy-6-phenacylbenzoate?
methyl 2,4-dimethoxy-6-phenacylbenzoate has a molecular weight of 314.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethoxy-6-phenacylbenzoate is sourced from PubChem (CID 10358262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).