2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione

C17H14O3 — CID 10730454

IUPAC2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione
SMILESCc1ccc(C)c(C2(O)C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H14O3/c1-10-7-8-11(2)14(9-10)17(20)15(18)12-5-3-4-6-13(12)16(17)19/h3-9,20H,1-2H3
InChIKeyPVFVLZRTYVRXHN-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.57
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione

2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione (PubChem CID 10730454) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione
PubChem CID10730454
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione
SMILESCc1ccc(C)c(C2(O)C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H14O3/c1-10-7-8-11(2)14(9-10)17(20)15(18)12-5-3-4-6-13(12)16(17)19/h3-9,20H,1-2H3
InChIKeyPVFVLZRTYVRXHN-UHFFFAOYSA-N
XLogP2.57
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

9-oxo-9H-fluorenecarboxylic acid
CID 74083
Hydrindantin
CID 21183
1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-hydroxy-3,4-dimethylphenyl)-
CID 2732545
1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-hydroxy-3,5-dimethylphenyl)-
CID 2732543
Fluorenone-2-carboxylic acid
CID 69913
9-Oxofluorene-4-carboxylic acid
CID 80361
9-Oxo-9H-fluorene-2,7-dicarboxylic acid
CID 2758945
3-(4-carboxyphenyl)-2,3-dihydro-1,1,3-trimethyl-1H-indene-5-carboxylic acid
CID 107125
3-hydroxy-2-(phenylcarbonyl)-1H-inden-1-one
CID 341820
4-[1-(1,1,2,3,3,6-Hexamethyl-indan-5-yl)-vinyl]-benzoic acid
CID 11725331
Cylindrene
CID 190914
1,3-Indandione, 2-(3-tert-butyl-2-hydroxyphenyl)-2-hydroxy-
CID 2732537

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione?
The IUPAC name of 2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione (CID 10730454) is 2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione?
The canonical SMILES for 2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione is Cc1ccc(C)c(C2(O)C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione?
The InChIKey is PVFVLZRTYVRXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-10-7-8-11(2)14(9-10)17(20)15(18)12-5-3-4-6-13(12)16(17)19/h3-9,20H,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione?
2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione has a molecular weight of 266.30 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione is sourced from PubChem (CID 10730454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).