5-(4-methoxyphenyl)indene-1,2,3-trione

C16H10O4 — CID 58803268

IUPAC5-(4-methoxyphenyl)indene-1,2,3-trione
SMILESCOc1ccc(-c2ccc3c(=O)c(=O)c(=O)c3c2)cc1
InChIInChI=1S/C16H10O4/c1-20-11-5-2-9(3-6-11)10-4-7-12-13(8-10)15(18)16(19)14(12)17/h2-8H,1H3
InChIKeyRRGSGYHCWFGVSP-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.47
Rot. Bonds2

About 5-(4-methoxyphenyl)indene-1,2,3-trione

5-(4-methoxyphenyl)indene-1,2,3-trione (PubChem CID 58803268) has the molecular formula C16H10O4 and a molecular weight of 266.25 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)indene-1,2,3-trione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)indene-1,2,3-trione
PubChem CID58803268
Molecular FormulaC16H10O4
Molecular Weight266.25 g/mol
Exact Mass266.06
IUPAC Name5-(4-methoxyphenyl)indene-1,2,3-trione
SMILESCOc1ccc(-c2ccc3c(=O)c(=O)c(=O)c3c2)cc1
InChIInChI=1S/C16H10O4/c1-20-11-5-2-9(3-6-11)10-4-7-12-13(8-10)15(18)16(19)14(12)17/h2-8H,1H3
InChIKeyRRGSGYHCWFGVSP-UHFFFAOYSA-N
XLogP1.47
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxyphenoxy)indene-1,2,3-trione
CID 58803270
2,6,9,10-tetrakis(4-methoxyphenyl)anthracene
CID 139177810
9,10-dibromo-2-(4-methoxyphenyl)anthracene
CID 59002235
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
CID 11149112
2,7-bis(4-methoxyphenyl)-[1]benzothiolo[3,2-b][1]benzothiole
CID 126549760
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
3-(4-methoxyphenyl)-4-methylcyclobut-3-ene-1,2-dione
CID 14737857
2-(4-methoxyphenyl)-6-methylnaphthalene
CID 15099897
5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 174495495
7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 69455047

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)indene-1,2,3-trione?
The IUPAC name of 5-(4-methoxyphenyl)indene-1,2,3-trione (CID 58803268) is 5-(4-methoxyphenyl)indene-1,2,3-trione.
What is the SMILES notation for 5-(4-methoxyphenyl)indene-1,2,3-trione?
The canonical SMILES for 5-(4-methoxyphenyl)indene-1,2,3-trione is COc1ccc(-c2ccc3c(=O)c(=O)c(=O)c3c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)indene-1,2,3-trione?
The InChIKey is RRGSGYHCWFGVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4/c1-20-11-5-2-9(3-6-11)10-4-7-12-13(8-10)15(18)16(19)14(12)17/h2-8H,1H3.
What are the key properties of 5-(4-methoxyphenyl)indene-1,2,3-trione?
5-(4-methoxyphenyl)indene-1,2,3-trione has a molecular weight of 266.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)indene-1,2,3-trione is sourced from PubChem (CID 58803268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).