6-hydroxy-2,2-dimethylbenzo[g]chromene-5,10-dione

C15H12O4 — CID 14034883

IUPAC6-hydroxy-2,2-dimethylbenzo[g]chromene-5,10-dione
SMILESCC1(C)C=CC2=C(O1)C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C15H12O4/c1-15(2)7-6-9-12(17)11-8(4-3-5-10(11)16)13(18)14(9)19-15/h3-7,16H,1-2H3
InChIKeyHSXZMRFWNYJCEM-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.39
Rot. Bonds

About 6-hydroxy-2,2-dimethylbenzo[g]chromene-5,10-dione

6-hydroxy-2,2-dimethylbenzo[g]chromene-5,10-dione (PubChem CID 14034883) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 6-hydroxy-2,2-dimethylbenzo[g]chromene-5,10-dione.

Molecular Properties

Compound Name6-hydroxy-2,2-dimethylbenzo[g]chromene-5,10-dione
PubChem CID14034883
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name6-hydroxy-2,2-dimethylbenzo[g]chromene-5,10-dione
SMILESCC1(C)C=CC2=C(O1)C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C15H12O4/c1-15(2)7-6-9-12(17)11-8(4-3-5-10(11)16)13(18)14(9)19-15/h3-7,16H,1-2H3
InChIKeyHSXZMRFWNYJCEM-UHFFFAOYSA-N
XLogP2.39
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,2-dimethylbenzo[g]chromene-5,10-dione?
The IUPAC name of 6-hydroxy-2,2-dimethylbenzo[g]chromene-5,10-dione (CID 14034883) is 6-hydroxy-2,2-dimethylbenzo[g]chromene-5,10-dione.
What is the SMILES notation for 6-hydroxy-2,2-dimethylbenzo[g]chromene-5,10-dione?
The canonical SMILES for 6-hydroxy-2,2-dimethylbenzo[g]chromene-5,10-dione is CC1(C)C=CC2=C(O1)C(=O)c1cccc(O)c1C2=O.
What is the InChIKey of 6-hydroxy-2,2-dimethylbenzo[g]chromene-5,10-dione?
The InChIKey is HSXZMRFWNYJCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-15(2)7-6-9-12(17)11-8(4-3-5-10(11)16)13(18)14(9)19-15/h3-7,16H,1-2H3.
What are the key properties of 6-hydroxy-2,2-dimethylbenzo[g]chromene-5,10-dione?
6-hydroxy-2,2-dimethylbenzo[g]chromene-5,10-dione has a molecular weight of 256.26 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,2-dimethylbenzo[g]chromene-5,10-dione is sourced from PubChem (CID 14034883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).