7-hydroxy-2-methoxyphenanthrene-1,4-dione

C15H10O4 — CID 637413

IUPAC7-hydroxy-2-methoxyphenanthrene-1,4-dione
SMILESCOC1=CC(=O)c2c(ccc3cc(O)ccc23)C1=O
InChIInChI=1S/C15H10O4/c1-19-13-7-12(17)14-10-5-3-9(16)6-8(10)2-4-11(14)15(13)18/h2-7,16H,1H3
InChIKeyFVUZCFUZMSCPCK-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.45
Rot. Bonds1

About 7-hydroxy-2-methoxyphenanthrene-1,4-dione

7-hydroxy-2-methoxyphenanthrene-1,4-dione (PubChem CID 637413) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 7-hydroxy-2-methoxyphenanthrene-1,4-dione.

Molecular Properties

Compound Name7-hydroxy-2-methoxyphenanthrene-1,4-dione
PubChem CID637413
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name7-hydroxy-2-methoxyphenanthrene-1,4-dione
SMILESCOC1=CC(=O)c2c(ccc3cc(O)ccc23)C1=O
InChIInChI=1S/C15H10O4/c1-19-13-7-12(17)14-10-5-3-9(16)6-8(10)2-4-11(14)15(13)18/h2-7,16H,1H3
InChIKeyFVUZCFUZMSCPCK-UHFFFAOYSA-N
XLogP2.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.45
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 7-hydroxy-2-methoxyphenanthrene-1,4-dione?
The IUPAC name of 7-hydroxy-2-methoxyphenanthrene-1,4-dione (CID 637413) is 7-hydroxy-2-methoxyphenanthrene-1,4-dione.
What is the SMILES notation for 7-hydroxy-2-methoxyphenanthrene-1,4-dione?
The canonical SMILES for 7-hydroxy-2-methoxyphenanthrene-1,4-dione is COC1=CC(=O)c2c(ccc3cc(O)ccc23)C1=O.
What is the InChIKey of 7-hydroxy-2-methoxyphenanthrene-1,4-dione?
The InChIKey is FVUZCFUZMSCPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c1-19-13-7-12(17)14-10-5-3-9(16)6-8(10)2-4-11(14)15(13)18/h2-7,16H,1H3.
What are the key properties of 7-hydroxy-2-methoxyphenanthrene-1,4-dione?
7-hydroxy-2-methoxyphenanthrene-1,4-dione has a molecular weight of 254.24 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methoxyphenanthrene-1,4-dione is sourced from PubChem (CID 637413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).