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

C16H16O3 — CID 82053413

IUPAC2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone
SMILESCOCC(=O)c1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H16O3/c1-18-11-16(17)14-5-3-12(4-6-14)13-7-9-15(19-2)10-8-13/h3-10H,11H2,1-2H3
InChIKeyXOXXFXZCIWXBLK-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.19
Rot. Bonds5

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

2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone (PubChem CID 82053413) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone
PubChem CID82053413
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone
SMILESCOCC(=O)c1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H16O3/c1-18-11-16(17)14-5-3-12(4-6-14)13-7-9-15(19-2)10-8-13/h3-10H,11H2,1-2H3
InChIKeyXOXXFXZCIWXBLK-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-fluorophenyl)phenyl]-2-methoxyethanone
CID 146011430
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133621
[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate
CID 70980265
2-but-3-enoxy-1-(4-methoxyphenyl)ethanone
CID 62031391
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 163301307
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate
CID 125477773
1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone
CID 21357126
3-O-[2-(4-methoxyphenyl)-2-oxoethyl] 1-O-methyl 2-methylpropanedioate
CID 175383206

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone (CID 82053413) is 2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone is COCC(=O)c1ccc(-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone?
The InChIKey is XOXXFXZCIWXBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-11-16(17)14-5-3-12(4-6-14)13-7-9-15(19-2)10-8-13/h3-10H,11H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone?
2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone has a molecular weight of 256.30 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone is sourced from PubChem (CID 82053413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).