2-(3,5-dimethoxyphenyl)-2-methoxy-1-phenylethanone

C17H18O4 — CID 59747700

IUPAC2-(3,5-dimethoxyphenyl)-2-methoxy-1-phenylethanone
SMILESCOc1cc(OC)cc(C(OC)C(=O)c2ccccc2)c1
InChIInChI=1S/C17H18O4/c1-19-14-9-13(10-15(11-14)20-2)17(21-3)16(18)12-7-5-4-6-8-12/h4-11,17H,1-3H3
InChIKeyYWSSACPNPYYMML-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.27
Rot. Bonds6

About 2-(3,5-dimethoxyphenyl)-2-methoxy-1-phenylethanone

2-(3,5-dimethoxyphenyl)-2-methoxy-1-phenylethanone (PubChem CID 59747700) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-2-methoxy-1-phenylethanone.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-2-methoxy-1-phenylethanone
PubChem CID59747700
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-(3,5-dimethoxyphenyl)-2-methoxy-1-phenylethanone
SMILESCOc1cc(OC)cc(C(OC)C(=O)c2ccccc2)c1
InChIInChI=1S/C17H18O4/c1-19-14-9-13(10-15(11-14)20-2)17(21-3)16(18)12-7-5-4-6-8-12/h4-11,17H,1-3H3
InChIKeyYWSSACPNPYYMML-UHFFFAOYSA-N
XLogP3.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-2-methoxy-1-phenylethanone?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-2-methoxy-1-phenylethanone (CID 59747700) is 2-(3,5-dimethoxyphenyl)-2-methoxy-1-phenylethanone.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-2-methoxy-1-phenylethanone?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-2-methoxy-1-phenylethanone is COc1cc(OC)cc(C(OC)C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-2-methoxy-1-phenylethanone?
The InChIKey is YWSSACPNPYYMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-14-9-13(10-15(11-14)20-2)17(21-3)16(18)12-7-5-4-6-8-12/h4-11,17H,1-3H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-2-methoxy-1-phenylethanone?
2-(3,5-dimethoxyphenyl)-2-methoxy-1-phenylethanone has a molecular weight of 286.33 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-2-methoxy-1-phenylethanone is sourced from PubChem (CID 59747700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).