1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione

C26H18O4 — CID 11003757

IUPAC1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione
SMILESCOc1cccc2c1C(=O)c1c(ccc(Cc3ccc4ccccc4c3)c1O)C2=O
InChIInChI=1S/C26H18O4/c1-30-21-8-4-7-19-22(21)26(29)23-20(25(19)28)12-11-18(24(23)27)14-15-9-10-16-5-2-3-6-17(16)13-15/h2-13,27H,14H2,1H3
InChIKeyDNSZBFDVKPZOLI-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.92
Rot. Bonds3

About 1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione

1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione (PubChem CID 11003757) has the molecular formula C26H18O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione.

Molecular Properties

Compound Name1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione
PubChem CID11003757
Molecular FormulaC26H18O4
Molecular Weight394.43 g/mol
Exact Mass394.12
IUPAC Name1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione
SMILESCOc1cccc2c1C(=O)c1c(ccc(Cc3ccc4ccccc4c3)c1O)C2=O
InChIInChI=1S/C26H18O4/c1-30-21-8-4-7-19-22(21)26(29)23-20(25(19)28)12-11-18(24(23)27)14-15-9-10-16-5-2-3-6-17(16)13-15/h2-13,27H,14H2,1H3
InChIKeyDNSZBFDVKPZOLI-UHFFFAOYSA-N
XLogP4.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.92
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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Related Compounds

1-hydroxy-5-methoxy-2-(2-oxopropyl)anthracene-9,10-dione
CID 11109668
1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione
CID 100970620
(1-hydroxy-8-methoxy-9,10-dioxoanthracen-2-yl) acetate
CID 67569882
1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione
CID 11300971
1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione
CID 10086578
2-(naphthalen-2-ylmethyl)naphthalen-1-ol
CID 14854909
1-hydroxy-8-methoxy-2-(3-oxobutanoyl)anthracene-9,10-dione
CID 11772093
11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione
CID 10066319
methyl 2-(1,4-dihydroxy-5-methoxy-9,10-dioxoanthracen-2-yl)acetate
CID 95931027
4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one
CID 100996420
2-[(2,4-dihydroxyphenyl)methyl]-1,8-dihydroxyanthracene-9,10-dione
CID 10316565
6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane
CID 123863601

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione?
The IUPAC name of 1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione (CID 11003757) is 1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione.
What is the SMILES notation for 1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione?
The canonical SMILES for 1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione is COc1cccc2c1C(=O)c1c(ccc(Cc3ccc4ccccc4c3)c1O)C2=O.
What is the InChIKey of 1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione?
The InChIKey is DNSZBFDVKPZOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O4/c1-30-21-8-4-7-19-22(21)26(29)23-20(25(19)28)12-11-18(24(23)27)14-15-9-10-16-5-2-3-6-17(16)13-15/h2-13,27H,14H2,1H3.
What are the key properties of 1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione?
1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione has a molecular weight of 394.43 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione is sourced from PubChem (CID 11003757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).