1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone

C18H20O3 — CID 62389766

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone
SMILESCOc1cc(C)c(C(=O)Cc2cccc(C)c2)cc1OC
InChIInChI=1S/C18H20O3/c1-12-6-5-7-14(8-12)10-16(19)15-11-18(21-4)17(20-3)9-13(15)2/h5-9,11H,10H2,1-4H3
InChIKeyDOQJMCPWGLXZLN-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.75
Rot. Bonds5

About 1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone

1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone (PubChem CID 62389766) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone
PubChem CID62389766
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone
SMILESCOc1cc(C)c(C(=O)Cc2cccc(C)c2)cc1OC
InChIInChI=1S/C18H20O3/c1-12-6-5-7-14(8-12)10-16(19)15-11-18(21-4)17(20-3)9-13(15)2/h5-9,11H,10H2,1-4H3
InChIKeyDOQJMCPWGLXZLN-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62387371
2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 43626572
1-(4,5-dimethoxy-2-methylphenyl)-2-(2-methylphenyl)ethanone
CID 43626555
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389398
2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone
CID 165344990
1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 65306864
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790334
1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)ethanone
CID 155671740
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-2-one
CID 104793404
N-(3,4-dimethoxyphenyl)-2-(3-methylphenyl)acetamide
CID 9497409
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone (CID 62389766) is 1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone is COc1cc(C)c(C(=O)Cc2cccc(C)c2)cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone?
The InChIKey is DOQJMCPWGLXZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-6-5-7-14(8-12)10-16(19)15-11-18(21-4)17(20-3)9-13(15)2/h5-9,11H,10H2,1-4H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone?
1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone has a molecular weight of 284.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 62389766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).