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

C16H12O5 — CID 854939

IUPAC2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)indene-1,3-dione
SMILESCOc1ccc(O)c(C2(O)C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C16H12O5/c1-21-9-6-7-13(17)12(8-9)16(20)14(18)10-4-2-3-5-11(10)15(16)19/h2-8,17,20H,1H3
InChIKeyYBVSRMICQGBHNO-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.67
Rot. Bonds2

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

2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)indene-1,3-dione (PubChem CID 854939) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)indene-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)indene-1,3-dione
PubChem CID854939
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)indene-1,3-dione
SMILESCOc1ccc(O)c(C2(O)C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C16H12O5/c1-21-9-6-7-13(17)12(8-9)16(20)14(18)10-4-2-3-5-11(10)15(16)19/h2-8,17,20H,1H3
InChIKeyYBVSRMICQGBHNO-UHFFFAOYSA-N
XLogP1.67
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)indene-1,3-dione?
The IUPAC name of 2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)indene-1,3-dione (CID 854939) is 2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)indene-1,3-dione.
What is the SMILES notation for 2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)indene-1,3-dione?
The canonical SMILES for 2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)indene-1,3-dione is COc1ccc(O)c(C2(O)C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)indene-1,3-dione?
The InChIKey is YBVSRMICQGBHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-21-9-6-7-13(17)12(8-9)16(20)14(18)10-4-2-3-5-11(10)15(16)19/h2-8,17,20H,1H3.
What are the key properties of 2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)indene-1,3-dione?
2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)indene-1,3-dione has a molecular weight of 284.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)indene-1,3-dione is sourced from PubChem (CID 854939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).