11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione

C21H20O5 — CID 14729074

IUPAC11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione
SMILESCOc1cc2c(c3c1CCC(C)(C)O3)C(=O)c1c(O)cc(C)cc1C2=O
InChIInChI=1S/C21H20O5/c1-10-7-12-16(14(22)8-10)19(24)17-13(18(12)23)9-15(25-4)11-5-6-21(2,3)26-20(11)17/h7-9,22H,5-6H2,1-4H3
InChIKeyYMAAIODFAUAYDO-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.59
Rot. Bonds1

About 11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione

11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione (PubChem CID 14729074) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is 11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione.

Molecular Properties

Compound Name11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione
PubChem CID14729074
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione
SMILESCOc1cc2c(c3c1CCC(C)(C)O3)C(=O)c1c(O)cc(C)cc1C2=O
InChIInChI=1S/C21H20O5/c1-10-7-12-16(14(22)8-10)19(24)17-13(18(12)23)9-15(25-4)11-5-6-21(2,3)26-20(11)17/h7-9,22H,5-6H2,1-4H3
InChIKeyYMAAIODFAUAYDO-UHFFFAOYSA-N
XLogP3.59
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione?
The IUPAC name of 11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione (CID 14729074) is 11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione.
What is the SMILES notation for 11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione?
The canonical SMILES for 11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione is COc1cc2c(c3c1CCC(C)(C)O3)C(=O)c1c(O)cc(C)cc1C2=O.
What is the InChIKey of 11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione?
The InChIKey is YMAAIODFAUAYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5/c1-10-7-12-16(14(22)8-10)19(24)17-13(18(12)23)9-15(25-4)11-5-6-21(2,3)26-20(11)17/h7-9,22H,5-6H2,1-4H3.
What are the key properties of 11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione?
11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione has a molecular weight of 352.39 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione is sourced from PubChem (CID 14729074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).