1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one

C18H20O3 — CID 62159649

IUPAC1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H20O3/c1-13-4-9-18(21-3)15(10-13)12-16(19)11-14-5-7-17(20-2)8-6-14/h4-10H,11-12H2,1-3H3
InChIKeyZBOURXZYTZVJLM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.37
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one

1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one (PubChem CID 62159649) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one
PubChem CID62159649
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H20O3/c1-13-4-9-18(21-3)15(10-13)12-16(19)11-14-5-7-17(20-2)8-6-14/h4-10H,11-12H2,1-3H3
InChIKeyZBOURXZYTZVJLM-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965782
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
2-(2-methoxy-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18107479
4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
CID 116581195
1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one
CID 55078933
1-tert-butylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 65133136
6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one
CID 116572089
1-(2-methoxy-5-methylphenyl)nonan-2-one
CID 114965759
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8928793
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
1-(2,5-dimethoxyphenyl)-3-sulfanylpropan-2-one
CID 58139295
1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
CID 43337271

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one (CID 62159649) is 1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one is COc1ccc(CC(=O)Cc2cc(C)ccc2OC)cc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one?
The InChIKey is ZBOURXZYTZVJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13-4-9-18(21-3)15(10-13)12-16(19)11-14-5-7-17(20-2)8-6-14/h4-10H,11-12H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one?
1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one has a molecular weight of 284.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one is sourced from PubChem (CID 62159649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).