2-hydroxy-5-methoxyindene-1,3-dione

C10H8O4 — CID 139638113

IUPAC2-hydroxy-5-methoxyindene-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(O)C2=O
InChIInChI=1S/C10H8O4/c1-14-5-2-3-6-7(4-5)9(12)10(13)8(6)11/h2-4,10,13H,1H3
InChIKeyBUKYBBCLRYDPIF-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.44
Rot. Bonds1

About 2-hydroxy-5-methoxyindene-1,3-dione

2-hydroxy-5-methoxyindene-1,3-dione (PubChem CID 139638113) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-hydroxy-5-methoxyindene-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-5-methoxyindene-1,3-dione
PubChem CID139638113
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name2-hydroxy-5-methoxyindene-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(O)C2=O
InChIInChI=1S/C10H8O4/c1-14-5-2-3-6-7(4-5)9(12)10(13)8(6)11/h2-4,10,13H,1H3
InChIKeyBUKYBBCLRYDPIF-UHFFFAOYSA-N
XLogP0.44
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.44
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-benzoyl-5-methoxyindene-1,3-dione
CID 122369760
(5-methoxy-1,3-dioxoinden-2-yl) acetate
CID 139638210
(2S,3S)-3-amino-2-hydroxy-5-methoxy-2,3-dihydroinden-1-one
CID 131859476
5-hydroxy-2-(4-methoxyphenyl)indene-1,3-dione
CID 22600577
5-methoxy-2-[4-[4-(5-methoxy-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione
CID 171734451
2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 11266614
(2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione
CID 23147999
6-methoxy-2,3-dimethylinden-1-one
CID 71441575
2-hydroxyindene-1,3-dione
CID 10219583
6-methoxy-3,3-dimethyl-2-nitroso-2H-inden-1-one
CID 91565922
2,3-dibromo-6-methoxyinden-1-one
CID 170703221
(3S)-2-tert-butyl-3-hydroxy-5-methoxy-3H-isoindol-1-one
CID 97041575

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxyindene-1,3-dione?
The IUPAC name of 2-hydroxy-5-methoxyindene-1,3-dione (CID 139638113) is 2-hydroxy-5-methoxyindene-1,3-dione.
What is the SMILES notation for 2-hydroxy-5-methoxyindene-1,3-dione?
The canonical SMILES for 2-hydroxy-5-methoxyindene-1,3-dione is COc1ccc2c(c1)C(=O)C(O)C2=O.
What is the InChIKey of 2-hydroxy-5-methoxyindene-1,3-dione?
The InChIKey is BUKYBBCLRYDPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c1-14-5-2-3-6-7(4-5)9(12)10(13)8(6)11/h2-4,10,13H,1H3.
What are the key properties of 2-hydroxy-5-methoxyindene-1,3-dione?
2-hydroxy-5-methoxyindene-1,3-dione has a molecular weight of 192.17 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxyindene-1,3-dione is sourced from PubChem (CID 139638113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).