methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate

C24H22O5 — CID 59575964

IUPACmethyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCc1ccc(COc2ccccc2C(C)=O)cc1
InChIInChI=1S/C24H22O5/c1-17(25)20-7-3-5-9-22(20)28-15-18-11-13-19(14-12-18)16-29-23-10-6-4-8-21(23)24(26)27-2/h3-14H,15-16H2,1-2H3
InChIKeyHNUCOBNEKIWJEX-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.83
Rot. Bonds8

About methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate

methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate (PubChem CID 59575964) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate
PubChem CID59575964
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Namemethyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCc1ccc(COc2ccccc2C(C)=O)cc1
InChIInChI=1S/C24H22O5/c1-17(25)20-7-3-5-9-22(20)28-15-18-11-13-19(14-12-18)16-29-23-10-6-4-8-21(23)24(26)27-2/h3-14H,15-16H2,1-2H3
InChIKeyHNUCOBNEKIWJEX-UHFFFAOYSA-N
XLogP4.83
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 9172369
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
N-[4-[(2-acetylphenoxy)methyl]phenyl]acetamide
CID 129038120
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
ethyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 82312048
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate?
The IUPAC name of methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate (CID 59575964) is methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate.
What is the SMILES notation for methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate?
The canonical SMILES for methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate is COC(=O)c1ccccc1OCc1ccc(COc2ccccc2C(C)=O)cc1.
What is the InChIKey of methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate?
The InChIKey is HNUCOBNEKIWJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O5/c1-17(25)20-7-3-5-9-22(20)28-15-18-11-13-19(14-12-18)16-29-23-10-6-4-8-21(23)24(26)27-2/h3-14H,15-16H2,1-2H3.
What are the key properties of methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate?
methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate has a molecular weight of 390.44 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate is sourced from PubChem (CID 59575964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).