1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione

C21H16O3 — CID 70106493

IUPAC1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione
SMILESCOc1ccc(-c2ccccc2C(=O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H16O3/c1-24-17-13-11-15(12-14-17)18-9-5-6-10-19(18)21(23)20(22)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyKUEMMGWSHBDWPL-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.43
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione

1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione (PubChem CID 70106493) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione
PubChem CID70106493
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione
SMILESCOc1ccc(-c2ccccc2C(=O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H16O3/c1-24-17-13-11-15(12-14-17)18-9-5-6-10-19(18)21(23)20(22)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyKUEMMGWSHBDWPL-UHFFFAOYSA-N
XLogP4.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone
CID 154019632
3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887239
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
(4-methoxyphenyl)-(2-pyridin-2-ylphenyl)methanone
CID 102294029
methyl 2-amino-3-(4-methoxyphenyl)benzoate
CID 171919931
1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone
CID 4562650
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
[3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone
CID 22648579
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-N-propan-2-ylbenzamide
CID 17358753
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione?
The IUPAC name of 1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione (CID 70106493) is 1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione?
The canonical SMILES for 1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione is COc1ccc(-c2ccccc2C(=O)C(=O)c2ccccc2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione?
The InChIKey is KUEMMGWSHBDWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3/c1-24-17-13-11-15(12-14-17)18-9-5-6-10-19(18)21(23)20(22)16-7-3-2-4-8-16/h2-14H,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione?
1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione has a molecular weight of 316.36 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione is sourced from PubChem (CID 70106493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).