1-hydroxy-7-methoxyanthracene-9,10-dione

C15H10O4 — CID 10515079

IUPAC1-hydroxy-7-methoxyanthracene-9,10-dione
SMILESCOc1ccc2c(c1)C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C15H10O4/c1-19-8-5-6-9-11(7-8)15(18)13-10(14(9)17)3-2-4-12(13)16/h2-7,16H,1H3
InChIKeyLSBXXNZKXFRFQY-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.18
Rot. Bonds1

About 1-hydroxy-7-methoxyanthracene-9,10-dione

1-hydroxy-7-methoxyanthracene-9,10-dione (PubChem CID 10515079) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 1-hydroxy-7-methoxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-hydroxy-7-methoxyanthracene-9,10-dione
PubChem CID10515079
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name1-hydroxy-7-methoxyanthracene-9,10-dione
SMILESCOc1ccc2c(c1)C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C15H10O4/c1-19-8-5-6-9-11(7-8)15(18)13-10(14(9)17)3-2-4-12(13)16/h2-7,16H,1H3
InChIKeyLSBXXNZKXFRFQY-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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

8-hydroxy-1,3-dimethoxyanthracene-9,10-dione
CID 158328422
methyl 3,8-dihydroxy-9,10-dioxoanthracene-2-carboxylate
CID 101398505
1-hydroxy-5-methylanthracene-9,10-dione
CID 10490094
CID 158452185
CID 158452185
2-bromo-6-methoxyanthracene-9,10-dione
CID 138963377
8-hydroxy-2-(4-methoxybenzoyl)benzo[f][1]benzothiole-4,9-dione
CID 118707760
2-chloro-5-hydroxy-3-(4-methoxyphenyl)naphthalene-1,4-dione
CID 10639031
2-methoxy-6-methylfluoren-9-one
CID 169198654
(2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione
CID 23147999
3-butoxy-8-hydroxy-1-methylanthracene-9,10-dione
CID 167231252
anthracene-9,10-dione;ethane;4-methoxyphenol
CID 90695266
14-hydroxy-18-methoxy-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),4,6,8,15(20),16,18-octaene-3,10,21-trione
CID 144562583

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-7-methoxyanthracene-9,10-dione?
The IUPAC name of 1-hydroxy-7-methoxyanthracene-9,10-dione (CID 10515079) is 1-hydroxy-7-methoxyanthracene-9,10-dione.
What is the SMILES notation for 1-hydroxy-7-methoxyanthracene-9,10-dione?
The canonical SMILES for 1-hydroxy-7-methoxyanthracene-9,10-dione is COc1ccc2c(c1)C(=O)c1c(O)cccc1C2=O.
What is the InChIKey of 1-hydroxy-7-methoxyanthracene-9,10-dione?
The InChIKey is LSBXXNZKXFRFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c1-19-8-5-6-9-11(7-8)15(18)13-10(14(9)17)3-2-4-12(13)16/h2-7,16H,1H3.
What are the key properties of 1-hydroxy-7-methoxyanthracene-9,10-dione?
1-hydroxy-7-methoxyanthracene-9,10-dione has a molecular weight of 254.24 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-7-methoxyanthracene-9,10-dione is sourced from PubChem (CID 10515079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).