2-hydroxy-4-propoxyindene-1,3-dione

C12H12O4 — CID 139638106

IUPAC2-hydroxy-4-propoxyindene-1,3-dione
SMILESCCCOc1cccc2c1C(=O)C(O)C2=O
InChIInChI=1S/C12H12O4/c1-2-6-16-8-5-3-4-7-9(8)11(14)12(15)10(7)13/h3-5,12,15H,2,6H2,1H3
InChIKeyWVJRXUDEQIMTIV-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.22
Rot. Bonds3

About 2-hydroxy-4-propoxyindene-1,3-dione

2-hydroxy-4-propoxyindene-1,3-dione (PubChem CID 139638106) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-hydroxy-4-propoxyindene-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-4-propoxyindene-1,3-dione
PubChem CID139638106
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name2-hydroxy-4-propoxyindene-1,3-dione
SMILESCCCOc1cccc2c1C(=O)C(O)C2=O
InChIInChI=1S/C12H12O4/c1-2-6-16-8-5-3-4-7-9(8)11(14)12(15)10(7)13/h3-5,12,15H,2,6H2,1H3
InChIKeyWVJRXUDEQIMTIV-UHFFFAOYSA-N
XLogP1.22
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.22
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

(1,3-dioxo-4-propoxyinden-2-yl) formate
CID 139638227
3-(hydroxymethyl)-1,8-dipropoxy-4a,9a-dihydroanthracene-9,10-dione
CID 58112239
1-propoxy-10H-anthracen-9-one
CID 70009381
2,6-dipropoxybenzoyl iodide
CID 19912030
1,5-di(pentadecoxy)anthracene-9,10-dione
CID 132915778
5-butoxynaphthalene-1,4-dione
CID 15194033
1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
CID 19594796
2-phenyl-3-propoxyphenol
CID 155695054
2-hydroxy-4-propoxybenzo[de]isoquinoline-1,3-dione
CID 163206395
(1,3-dioxo-4-prop-2-enoxyinden-2-yl) butanoate
CID 139638047
2-chloro-N-(9,10-dioxo-4,5-dipropoxyanthracen-2-yl)acetamide
CID 72944246
[4-(2-propoxyphenyl)phenyl]methylcarbamic acid
CID 67457846

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-propoxyindene-1,3-dione?
The IUPAC name of 2-hydroxy-4-propoxyindene-1,3-dione (CID 139638106) is 2-hydroxy-4-propoxyindene-1,3-dione.
What is the SMILES notation for 2-hydroxy-4-propoxyindene-1,3-dione?
The canonical SMILES for 2-hydroxy-4-propoxyindene-1,3-dione is CCCOc1cccc2c1C(=O)C(O)C2=O.
What is the InChIKey of 2-hydroxy-4-propoxyindene-1,3-dione?
The InChIKey is WVJRXUDEQIMTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-2-6-16-8-5-3-4-7-9(8)11(14)12(15)10(7)13/h3-5,12,15H,2,6H2,1H3.
What are the key properties of 2-hydroxy-4-propoxyindene-1,3-dione?
2-hydroxy-4-propoxyindene-1,3-dione has a molecular weight of 220.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-propoxyindene-1,3-dione is sourced from PubChem (CID 139638106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).