2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone

C20H24O5 — CID 165344990

IUPAC2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone
SMILESCCOc1cc(C)c(C(=O)Cc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H24O5/c1-6-25-20-9-13(2)15(12-19(20)24-5)16(21)10-14-7-8-17(22-3)18(11-14)23-4/h7-9,11-12H,6,10H2,1-5H3
InChIKeyVUTRMFJFYWHLHA-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.84
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone

2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone (PubChem CID 165344990) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone
PubChem CID165344990
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone
SMILESCCOc1cc(C)c(C(=O)Cc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H24O5/c1-6-25-20-9-13(2)15(12-19(20)24-5)16(21)10-14-7-8-17(22-3)18(11-14)23-4/h7-9,11-12H,6,10H2,1-5H3
InChIKeyVUTRMFJFYWHLHA-UHFFFAOYSA-N
XLogP3.84
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 43626572
1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 62389766
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone
CID 43339993
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)ethanone
CID 60919062
1-(4,5-dimethoxy-2-methylphenyl)-2-(2-methylphenyl)ethanone
CID 43626555
1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 43344752
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715734
3-ethoxy-4-methoxybenzoate
CID 7020473
N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide
CID 143080123

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone (CID 165344990) is 2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone is CCOc1cc(C)c(C(=O)Cc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone?
The InChIKey is VUTRMFJFYWHLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-6-25-20-9-13(2)15(12-19(20)24-5)16(21)10-14-7-8-17(22-3)18(11-14)23-4/h7-9,11-12H,6,10H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone?
2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone has a molecular weight of 344.41 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone is sourced from PubChem (CID 165344990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).