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

C18H20O3 — CID 82051856

IUPAC2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone
SMILESCOCC(=O)c1cc(C)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C18H20O3/c1-13-4-7-15(8-5-13)11-21-18-9-6-14(2)10-16(18)17(19)12-20-3/h4-10H,11-12H2,1-3H3
InChIKeyVNVXVQUVDPEDDL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.71
Rot. Bonds6

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

2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone (PubChem CID 82051856) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone
PubChem CID82051856
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone
SMILESCOCC(=O)c1cc(C)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C18H20O3/c1-13-4-7-15(8-5-13)11-21-18-9-6-14(2)10-16(18)17(19)12-20-3/h4-10H,11-12H2,1-3H3
InChIKeyVNVXVQUVDPEDDL-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone
CID 82051875
3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one
CID 82051895
4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-4-oxobutanoic acid
CID 82051889
1-(5-methyl-2-phenylmethoxyphenyl)-2-propan-2-ylsulfanylethanone
CID 82051831
1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one
CID 83950881
1-(3,4-dimethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]-3-propanoylphenyl]urea
CID 23019202
2-[(4-methylphenyl)methoxy]benzoyl chloride
CID 46779704
(E)-4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-4-oxobut-2-enoic acid
CID 82051890
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
4-[(2,4-dimethylphenoxy)methyl]benzoate
CID 7017094
1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone
CID 82051142
1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one
CID 82051586

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone (CID 82051856) is 2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone is COCC(=O)c1cc(C)ccc1OCc1ccc(C)cc1.
What is the InChIKey of 2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone?
The InChIKey is VNVXVQUVDPEDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13-4-7-15(8-5-13)11-21-18-9-6-14(2)10-16(18)17(19)12-20-3/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone?
2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 82051856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).