1-(2-methoxy-6-phenylphenyl)pyrrole-2,5-dione

C17H13NO3 — CID 162416740

IUPAC1-(2-methoxy-6-phenylphenyl)pyrrole-2,5-dione
SMILESCOc1cccc(-c2ccccc2)c1N1C(=O)C=CC1=O
InChIInChI=1S/C17H13NO3/c1-21-14-9-5-8-13(12-6-3-2-4-7-12)17(14)18-15(19)10-11-16(18)20/h2-11H,1H3
InChIKeyVFTUYMRTNNMWSF-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.79
Rot. Bonds3

About 1-(2-methoxy-6-phenylphenyl)pyrrole-2,5-dione

1-(2-methoxy-6-phenylphenyl)pyrrole-2,5-dione (PubChem CID 162416740) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(2-methoxy-6-phenylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxy-6-phenylphenyl)pyrrole-2,5-dione
PubChem CID162416740
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name1-(2-methoxy-6-phenylphenyl)pyrrole-2,5-dione
SMILESCOc1cccc(-c2ccccc2)c1N1C(=O)C=CC1=O
InChIInChI=1S/C17H13NO3/c1-21-14-9-5-8-13(12-6-3-2-4-7-12)17(14)18-15(19)10-11-16(18)20/h2-11H,1H3
InChIKeyVFTUYMRTNNMWSF-UHFFFAOYSA-N
XLogP2.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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(E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide
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CID 14166104
4,8-Dimethoxy-1-methyl-3-(3-methylbut-2-en-1-yl)quinolin-2(1H)-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-phenylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-methoxy-6-phenylphenyl)pyrrole-2,5-dione (CID 162416740) is 1-(2-methoxy-6-phenylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-methoxy-6-phenylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-methoxy-6-phenylphenyl)pyrrole-2,5-dione is COc1cccc(-c2ccccc2)c1N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-methoxy-6-phenylphenyl)pyrrole-2,5-dione?
The InChIKey is VFTUYMRTNNMWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-14-9-5-8-13(12-6-3-2-4-7-12)17(14)18-15(19)10-11-16(18)20/h2-11H,1H3.
What are the key properties of 1-(2-methoxy-6-phenylphenyl)pyrrole-2,5-dione?
1-(2-methoxy-6-phenylphenyl)pyrrole-2,5-dione has a molecular weight of 279.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-6-phenylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 162416740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).