1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one

C20H24O4 — CID 70019238

IUPAC1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one
SMILESCCc1ccc(OC)c(CCC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C20H24O4/c1-5-14-6-9-20(24-4)15(10-14)7-8-19(21)16-11-17(22-2)13-18(12-16)23-3/h6,9-13H,5,7-8H2,1-4H3
InChIKeyPWEJDRLGHXDMLS-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.09
Rot. Bonds8

About 1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one

1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one (PubChem CID 70019238) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one
PubChem CID70019238
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one
SMILESCCc1ccc(OC)c(CCC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C20H24O4/c1-5-14-6-9-20(24-4)15(10-14)7-8-19(21)16-11-17(22-2)13-18(12-16)23-3/h6,9-13H,5,7-8H2,1-4H3
InChIKeyPWEJDRLGHXDMLS-UHFFFAOYSA-N
XLogP4.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one
CID 115235918
methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate
CID 110788778
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 115005474
3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 94694459
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamoyl chloride
CID 115194910
4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide
CID 116845108
3-(4-ethyl-2-methoxyphenyl)propanoic acid
CID 91883544
3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one
CID 82782955
5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236595

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one (CID 70019238) is 1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one is CCc1ccc(OC)c(CCC(=O)c2cc(OC)cc(OC)c2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one?
The InChIKey is PWEJDRLGHXDMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-5-14-6-9-20(24-4)15(10-14)7-8-19(21)16-11-17(22-2)13-18(12-16)23-3/h6,9-13H,5,7-8H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one?
1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one has a molecular weight of 328.41 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 70019238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).