1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one

C17H18O3 — CID 56654613

IUPAC1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one
SMILESCOc1ccccc1-c1c(CC(C)=O)cccc1OC
InChIInChI=1S/C17H18O3/c1-12(18)11-13-7-6-10-16(20-3)17(13)14-8-4-5-9-15(14)19-2/h4-10H,11H2,1-3H3
InChIKeyGGANQRCACTYBHC-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.50
Rot. Bonds5

About 1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one

1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one (PubChem CID 56654613) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one
PubChem CID56654613
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one
SMILESCOc1ccccc1-c1c(CC(C)=O)cccc1OC
InChIInChI=1S/C17H18O3/c1-12(18)11-13-7-6-10-16(20-3)17(13)14-8-4-5-9-15(14)19-2/h4-10H,11H2,1-3H3
InChIKeyGGANQRCACTYBHC-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one?
The IUPAC name of 1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one (CID 56654613) is 1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one?
The canonical SMILES for 1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one is COc1ccccc1-c1c(CC(C)=O)cccc1OC.
What is the InChIKey of 1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one?
The InChIKey is GGANQRCACTYBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(18)11-13-7-6-10-16(20-3)17(13)14-8-4-5-9-15(14)19-2/h4-10H,11H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one?
1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one has a molecular weight of 270.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one is sourced from PubChem (CID 56654613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).