1-[2-methoxy-6-(1-phenylethenyl)phenyl]ethanone

C17H16O2 — CID 102281381

IUPAC1-[2-methoxy-6-(1-phenylethenyl)phenyl]ethanone
SMILESC=C(c1ccccc1)c1cccc(OC)c1C(C)=O
InChIInChI=1S/C17H16O2/c1-12(14-8-5-4-6-9-14)15-10-7-11-16(19-3)17(15)13(2)18/h4-11H,1H2,2-3H3
InChIKeyRDJCQHRFVGQZNO-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.96
Rot. Bonds4

About 1-[2-methoxy-6-(1-phenylethenyl)phenyl]ethanone

1-[2-methoxy-6-(1-phenylethenyl)phenyl]ethanone (PubChem CID 102281381) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[2-methoxy-6-(1-phenylethenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-methoxy-6-(1-phenylethenyl)phenyl]ethanone
PubChem CID102281381
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-[2-methoxy-6-(1-phenylethenyl)phenyl]ethanone
SMILESC=C(c1ccccc1)c1cccc(OC)c1C(C)=O
InChIInChI=1S/C17H16O2/c1-12(14-8-5-4-6-9-14)15-10-7-11-16(19-3)17(15)13(2)18/h4-11H,1H2,2-3H3
InChIKeyRDJCQHRFVGQZNO-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Flavone
CID 10680
Beta-Naphthoflavone
CID 2361
Xanthone
CID 7020
6-Methoxyflavone
CID 147157
Isoflavone
CID 72304
Chromone
CID 10286
2'-Methoxyacetophenone
CID 68481
3-Methylchromone
CID 66569
1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione
CID 31494
(+)-Eleutherin
CID 10166
4,4'-Dimethoxybenzil
CID 71043
3-Hydroxy-3'-methoxyflavone
CID 676296

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-(1-phenylethenyl)phenyl]ethanone?
The IUPAC name of 1-[2-methoxy-6-(1-phenylethenyl)phenyl]ethanone (CID 102281381) is 1-[2-methoxy-6-(1-phenylethenyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-methoxy-6-(1-phenylethenyl)phenyl]ethanone?
The canonical SMILES for 1-[2-methoxy-6-(1-phenylethenyl)phenyl]ethanone is C=C(c1ccccc1)c1cccc(OC)c1C(C)=O.
What is the InChIKey of 1-[2-methoxy-6-(1-phenylethenyl)phenyl]ethanone?
The InChIKey is RDJCQHRFVGQZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-12(14-8-5-4-6-9-14)15-10-7-11-16(19-3)17(15)13(2)18/h4-11H,1H2,2-3H3.
What are the key properties of 1-[2-methoxy-6-(1-phenylethenyl)phenyl]ethanone?
1-[2-methoxy-6-(1-phenylethenyl)phenyl]ethanone has a molecular weight of 252.31 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-6-(1-phenylethenyl)phenyl]ethanone is sourced from PubChem (CID 102281381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).