5-hydroxy-2-(4-methoxyphenyl)indene-1,3-dione

C16H12O4 — CID 22600577

IUPAC5-hydroxy-2-(4-methoxyphenyl)indene-1,3-dione
SMILESCOc1ccc(C2C(=O)c3ccc(O)cc3C2=O)cc1
InChIInChI=1S/C16H12O4/c1-20-11-5-2-9(3-6-11)14-15(18)12-7-4-10(17)8-13(12)16(14)19/h2-8,14,17H,1H3
InChIKeyLKGITAMFZVWSSQ-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.56
Rot. Bonds2

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

5-hydroxy-2-(4-methoxyphenyl)indene-1,3-dione (PubChem CID 22600577) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-hydroxy-2-(4-methoxyphenyl)indene-1,3-dione.

Molecular Properties

Compound Name5-hydroxy-2-(4-methoxyphenyl)indene-1,3-dione
PubChem CID22600577
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name5-hydroxy-2-(4-methoxyphenyl)indene-1,3-dione
SMILESCOc1ccc(C2C(=O)c3ccc(O)cc3C2=O)cc1
InChIInChI=1S/C16H12O4/c1-20-11-5-2-9(3-6-11)14-15(18)12-7-4-10(17)8-13(12)16(14)19/h2-8,14,17H,1H3
InChIKeyLKGITAMFZVWSSQ-UHFFFAOYSA-N
XLogP2.56
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-methoxyindene-1,3-dione
CID 139638113
(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 139082569
2,5-dihydroxyindene-1,3-dione
CID 139638002
(2S)-2-(4-methoxyphenyl)-3-phenyliminoinden-1-one
CID 124542757
[5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate
CID 164597980
methane;4-methoxyphenol
CID 159494332
7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 10786053
(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 139082868
3,4-bis(4-methoxyphenoxy)phenol
CID 139941919
(5-methoxy-1,3-dioxoinden-2-yl) acetate
CID 139638210
6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one
CID 54273981
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-methoxyphenyl)indene-1,3-dione?
The IUPAC name of 5-hydroxy-2-(4-methoxyphenyl)indene-1,3-dione (CID 22600577) is 5-hydroxy-2-(4-methoxyphenyl)indene-1,3-dione.
What is the SMILES notation for 5-hydroxy-2-(4-methoxyphenyl)indene-1,3-dione?
The canonical SMILES for 5-hydroxy-2-(4-methoxyphenyl)indene-1,3-dione is COc1ccc(C2C(=O)c3ccc(O)cc3C2=O)cc1.
What is the InChIKey of 5-hydroxy-2-(4-methoxyphenyl)indene-1,3-dione?
The InChIKey is LKGITAMFZVWSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-20-11-5-2-9(3-6-11)14-15(18)12-7-4-10(17)8-13(12)16(14)19/h2-8,14,17H,1H3.
What are the key properties of 5-hydroxy-2-(4-methoxyphenyl)indene-1,3-dione?
5-hydroxy-2-(4-methoxyphenyl)indene-1,3-dione has a molecular weight of 268.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-methoxyphenyl)indene-1,3-dione is sourced from PubChem (CID 22600577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).