2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one

C17H18O3 — CID 71423704

IUPAC2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)c2cccc(OC)c2)cc1
InChIInChI=1S/C17H18O3/c1-12(14-5-4-6-16(11-14)20-3)17(18)13-7-9-15(19-2)10-8-13/h4-12H,1-3H3
InChIKeyKOJPEWXLANJDNC-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.69
Rot. Bonds5

About 2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one

2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one (PubChem CID 71423704) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
PubChem CID71423704
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)c2cccc(OC)c2)cc1
InChIInChI=1S/C17H18O3/c1-12(14-5-4-6-16(11-14)20-3)17(18)13-7-9-15(19-2)10-8-13/h4-12H,1-3H3
InChIKeyKOJPEWXLANJDNC-UHFFFAOYSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one
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2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
2-(3-methoxyphenyl)hexan-3-one
CID 83047977
propan-2-yl 3-(3-methoxyphenyl)butanoate
CID 10799820
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
2-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylbutane-1,4-dione
CID 122221336
methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate
CID 10590178
2,3,3-trimethylbutan-2-yl (2S)-2-(3-methoxyphenyl)propanoate
CID 134966872
1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one
CID 166402330
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one (CID 71423704) is 2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)c2cccc(OC)c2)cc1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is KOJPEWXLANJDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(14-5-4-6-16(11-14)20-3)17(18)13-7-9-15(19-2)10-8-13/h4-12H,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one?
2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 270.33 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 71423704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).