5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione

C16H14O5 — CID 23251767

IUPAC5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione
SMILESCOC1=CC(=O)C2=C(C1=O)c1c(O)cc(OC)cc1CC2
InChIInChI=1S/C16H14O5/c1-20-9-5-8-3-4-10-11(17)7-13(21-2)16(19)15(10)14(8)12(18)6-9/h5-7,18H,3-4H2,1-2H3
InChIKeyRWMAJRUYGIQAEM-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.78
Rot. Bonds2

About 5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione

5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione (PubChem CID 23251767) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione.

Molecular Properties

Compound Name5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione
PubChem CID23251767
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione
SMILESCOC1=CC(=O)C2=C(C1=O)c1c(O)cc(OC)cc1CC2
InChIInChI=1S/C16H14O5/c1-20-9-5-8-3-4-10-11(17)7-13(21-2)16(19)15(10)14(8)12(18)6-9/h5-7,18H,3-4H2,1-2H3
InChIKeyRWMAJRUYGIQAEM-UHFFFAOYSA-N
XLogP1.78
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione?
The IUPAC name of 5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione (CID 23251767) is 5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione.
What is the SMILES notation for 5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione?
The canonical SMILES for 5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione is COC1=CC(=O)C2=C(C1=O)c1c(O)cc(OC)cc1CC2.
What is the InChIKey of 5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione?
The InChIKey is RWMAJRUYGIQAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-20-9-5-8-3-4-10-11(17)7-13(21-2)16(19)15(10)14(8)12(18)6-9/h5-7,18H,3-4H2,1-2H3.
What are the key properties of 5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione?
5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione has a molecular weight of 286.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione is sourced from PubChem (CID 23251767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).