1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one

C17H18O3 — CID 61033997

IUPAC1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(-c2cc(OC)ccc2OC)c1
InChIInChI=1S/C17H18O3/c1-4-16(18)13-7-5-6-12(10-13)15-11-14(19-2)8-9-17(15)20-3/h5-11H,4H2,1-3H3
InChIKeyUQJNSHIXFWZAHP-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.96
Rot. Bonds5

About 1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one

1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one (PubChem CID 61033997) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one
PubChem CID61033997
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(-c2cc(OC)ccc2OC)c1
InChIInChI=1S/C17H18O3/c1-4-16(18)13-7-5-6-12(10-13)15-11-14(19-2)8-9-17(15)20-3/h5-11H,4H2,1-3H3
InChIKeyUQJNSHIXFWZAHP-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
CID 21460495
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 71476627
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
1-[3-(4-ethoxyphenyl)phenyl]propan-1-one
CID 54912382
(3S)-3-amino-3-[3-(2,5-dimethoxyphenyl)phenyl]propanoic acid
CID 135366938
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one
CID 55198842
3-[3-(3-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887222
3-amino-5-(2,5-dimethoxyphenyl)benzoic acid
CID 53227230
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
3-(2-methoxyphenyl)benzoic acid
CID 2759547

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one?
The IUPAC name of 1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one (CID 61033997) is 1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one?
The canonical SMILES for 1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one is CCC(=O)c1cccc(-c2cc(OC)ccc2OC)c1.
What is the InChIKey of 1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one?
The InChIKey is UQJNSHIXFWZAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-4-16(18)13-7-5-6-12(10-13)15-11-14(19-2)8-9-17(15)20-3/h5-11H,4H2,1-3H3.
What are the key properties of 1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one?
1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one has a molecular weight of 270.33 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one is sourced from PubChem (CID 61033997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).