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

C16H10O5 — CID 58803270

IUPAC5-(4-methoxyphenoxy)indene-1,2,3-trione
SMILESCOc1ccc(Oc2ccc3c(=O)c(=O)c(=O)c3c2)cc1
InChIInChI=1S/C16H10O5/c1-20-9-2-4-10(5-3-9)21-11-6-7-12-13(8-11)15(18)16(19)14(12)17/h2-8H,1H3
InChIKeyLVTJFFOSCOBXQQ-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.60
Rot. Bonds3

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

5-(4-methoxyphenoxy)indene-1,2,3-trione (PubChem CID 58803270) has the molecular formula C16H10O5 and a molecular weight of 282.25 g/mol. Its IUPAC name is 5-(4-methoxyphenoxy)indene-1,2,3-trione.

Molecular Properties

Compound Name5-(4-methoxyphenoxy)indene-1,2,3-trione
PubChem CID58803270
Molecular FormulaC16H10O5
Molecular Weight282.25 g/mol
Exact Mass282.05
IUPAC Name5-(4-methoxyphenoxy)indene-1,2,3-trione
SMILESCOc1ccc(Oc2ccc3c(=O)c(=O)c(=O)c3c2)cc1
InChIInChI=1S/C16H10O5/c1-20-9-2-4-10(5-3-9)21-11-6-7-12-13(8-11)15(18)16(19)14(12)17/h2-8H,1H3
InChIKeyLVTJFFOSCOBXQQ-UHFFFAOYSA-N
XLogP1.60
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxyphenyl)indene-1,2,3-trione
CID 58803268
2,9-bis(4-tert-butylphenoxy)pentacene-5,7,12,14-tetrone
CID 86088016
3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 139788379
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
3-acetyl-7-(4-methoxyphenoxy)chromen-4-one
CID 139885668
2,7-dimethoxypyrene-4,5,9,10-tetrone
CID 153364564
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
[4-(4-methoxyphenoxy)phenyl]borane
CID 88897158
N-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine
CID 147717403
ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide
CID 91209459
[4-(4-methoxyphenoxy)phenyl] formate
CID 88935611
5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
CID 177038641

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenoxy)indene-1,2,3-trione?
The IUPAC name of 5-(4-methoxyphenoxy)indene-1,2,3-trione (CID 58803270) is 5-(4-methoxyphenoxy)indene-1,2,3-trione.
What is the SMILES notation for 5-(4-methoxyphenoxy)indene-1,2,3-trione?
The canonical SMILES for 5-(4-methoxyphenoxy)indene-1,2,3-trione is COc1ccc(Oc2ccc3c(=O)c(=O)c(=O)c3c2)cc1.
What is the InChIKey of 5-(4-methoxyphenoxy)indene-1,2,3-trione?
The InChIKey is LVTJFFOSCOBXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O5/c1-20-9-2-4-10(5-3-9)21-11-6-7-12-13(8-11)15(18)16(19)14(12)17/h2-8H,1H3.
What are the key properties of 5-(4-methoxyphenoxy)indene-1,2,3-trione?
5-(4-methoxyphenoxy)indene-1,2,3-trione has a molecular weight of 282.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenoxy)indene-1,2,3-trione is sourced from PubChem (CID 58803270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).