1-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone

C18H20O5 — CID 873120

IUPAC1-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C18H20O5/c1-20-13-6-7-14(17(11-13)22-3)15(19)9-12-5-8-16(21-2)18(10-12)23-4/h5-8,10-11H,9H2,1-4H3
InChIKeySPQXXKXXNFEOAF-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.15
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone

1-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone (PubChem CID 873120) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone
PubChem CID873120
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name1-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C18H20O5/c1-20-13-6-7-14(17(11-13)22-3)15(19)9-12-5-8-16(21-2)18(10-12)23-4/h5-8,10-11H,9H2,1-4H3
InChIKeySPQXXKXXNFEOAF-UHFFFAOYSA-N
XLogP3.15
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone (CID 873120) is 1-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)Cc2ccc(OC)c(OC)c2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is SPQXXKXXNFEOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-20-13-6-7-14(17(11-13)22-3)15(19)9-12-5-8-16(21-2)18(10-12)23-4/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone?
1-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 316.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 873120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).