5-methoxy-6-(4-methoxyphenyl)-1-phenylhexan-3-one

C20H24O3 — CID 24881610

IUPAC5-methoxy-6-(4-methoxyphenyl)-1-phenylhexan-3-one
SMILESCOc1ccc(CC(CC(=O)CCc2ccccc2)OC)cc1
InChIInChI=1S/C20H24O3/c1-22-19-12-9-17(10-13-19)14-20(23-2)15-18(21)11-8-16-6-4-3-5-7-16/h3-7,9-10,12-13,20H,8,11,14-15H2,1-2H3
InChIKeyXYSWEUZNLVNRIU-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.84
Rot. Bonds9

About 5-methoxy-6-(4-methoxyphenyl)-1-phenylhexan-3-one

5-methoxy-6-(4-methoxyphenyl)-1-phenylhexan-3-one (PubChem CID 24881610) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 5-methoxy-6-(4-methoxyphenyl)-1-phenylhexan-3-one.

Molecular Properties

Compound Name5-methoxy-6-(4-methoxyphenyl)-1-phenylhexan-3-one
PubChem CID24881610
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name5-methoxy-6-(4-methoxyphenyl)-1-phenylhexan-3-one
SMILESCOc1ccc(CC(CC(=O)CCc2ccccc2)OC)cc1
InChIInChI=1S/C20H24O3/c1-22-19-12-9-17(10-13-19)14-20(23-2)15-18(21)11-8-16-6-4-3-5-7-16/h3-7,9-10,12-13,20H,8,11,14-15H2,1-2H3
InChIKeyXYSWEUZNLVNRIU-UHFFFAOYSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(4-methoxyphenyl)-1-phenylhexan-3-one?
The IUPAC name of 5-methoxy-6-(4-methoxyphenyl)-1-phenylhexan-3-one (CID 24881610) is 5-methoxy-6-(4-methoxyphenyl)-1-phenylhexan-3-one.
What is the SMILES notation for 5-methoxy-6-(4-methoxyphenyl)-1-phenylhexan-3-one?
The canonical SMILES for 5-methoxy-6-(4-methoxyphenyl)-1-phenylhexan-3-one is COc1ccc(CC(CC(=O)CCc2ccccc2)OC)cc1.
What is the InChIKey of 5-methoxy-6-(4-methoxyphenyl)-1-phenylhexan-3-one?
The InChIKey is XYSWEUZNLVNRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-22-19-12-9-17(10-13-19)14-20(23-2)15-18(21)11-8-16-6-4-3-5-7-16/h3-7,9-10,12-13,20H,8,11,14-15H2,1-2H3.
What are the key properties of 5-methoxy-6-(4-methoxyphenyl)-1-phenylhexan-3-one?
5-methoxy-6-(4-methoxyphenyl)-1-phenylhexan-3-one has a molecular weight of 312.41 g/mol, XLogP of 3.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(4-methoxyphenyl)-1-phenylhexan-3-one is sourced from PubChem (CID 24881610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).