1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone

C17H18O3 — CID 22961575

IUPAC1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
SMILESCOc1ccc(Cc2ccc(OC)c(C(C)=O)c2)cc1
InChIInChI=1S/C17H18O3/c1-12(18)16-11-14(6-9-17(16)20-3)10-13-4-7-15(19-2)8-5-13/h4-9,11H,10H2,1-3H3
InChIKeyIYSPSJOLDPLDJD-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.50
Rot. Bonds5

About 1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone

1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone (PubChem CID 22961575) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
PubChem CID22961575
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
SMILESCOc1ccc(Cc2ccc(OC)c(C(C)=O)c2)cc1
InChIInChI=1S/C17H18O3/c1-12(18)16-11-14(6-9-17(16)20-3)10-13-4-7-15(19-2)8-5-13/h4-9,11H,10H2,1-3H3
InChIKeyIYSPSJOLDPLDJD-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone;1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 160861227
1-(5-benzyl-2-methoxyphenyl)ethanone
CID 10681517
ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 91044178
methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate
CID 160887785
1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863953
1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone
CID 141104221
1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 71248787
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
1-methoxy-3-[(4-methoxy-3-methylphenyl)methyl]-5-[(4-methoxyphenyl)methyl]benzene
CID 146175274
1-[5-(2-hydroxy-2-methylpropoxy)-2-methoxyphenyl]ethanone
CID 110017847
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
[4-[[4-[4-[(4-methoxyphenyl)methyl]phenoxy]carbonyloxyphenyl]methyl]phenyl] acetate
CID 158229898

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone?
The IUPAC name of 1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone (CID 22961575) is 1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone is COc1ccc(Cc2ccc(OC)c(C(C)=O)c2)cc1.
What is the InChIKey of 1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone?
The InChIKey is IYSPSJOLDPLDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(18)16-11-14(6-9-17(16)20-3)10-13-4-7-15(19-2)8-5-13/h4-9,11H,10H2,1-3H3.
What are the key properties of 1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone?
1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone has a molecular weight of 270.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone is sourced from PubChem (CID 22961575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).