1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione

C17H14O5 — CID 11300971

IUPAC1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione
SMILESCOc1cccc2c1C(=O)c1c(ccc(C(C)O)c1O)C2=O
InChIInChI=1S/C17H14O5/c1-8(18)9-6-7-11-14(16(9)20)17(21)13-10(15(11)19)4-3-5-12(13)22-2/h3-8,18,20H,1-2H3
InChIKeyRKCMNPMZKCWSGW-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.23
Rot. Bonds2

About 1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione

1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione (PubChem CID 11300971) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione
PubChem CID11300971
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione
SMILESCOc1cccc2c1C(=O)c1c(ccc(C(C)O)c1O)C2=O
InChIInChI=1S/C17H14O5/c1-8(18)9-6-7-11-14(16(9)20)17(21)13-10(15(11)19)4-3-5-12(13)22-2/h3-8,18,20H,1-2H3
InChIKeyRKCMNPMZKCWSGW-UHFFFAOYSA-N
XLogP2.23
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-hydroxy-8-methoxy-9,10-dioxoanthracen-2-yl) acetate
CID 67569882
1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione
CID 10086578
2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione
CID 14861205
5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione
CID 143783020
11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione
CID 10066319
1-hydroxy-8-methoxy-2-(3-oxobutanoyl)anthracene-9,10-dione
CID 11772093
1,5-dimethoxyfluoren-9-one
CID 19594782
1-hydroxy-5-methoxy-2-(2-oxopropyl)anthracene-9,10-dione
CID 11109668
6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane
CID 123863601
1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione
CID 100970620
1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione
CID 11003757
ethyl 1-hydroxy-5-methoxy-9,10-dioxoanthracene-2-carboxylate
CID 134937894

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione?
The IUPAC name of 1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione (CID 11300971) is 1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione.
What is the SMILES notation for 1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione?
The canonical SMILES for 1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione is COc1cccc2c1C(=O)c1c(ccc(C(C)O)c1O)C2=O.
What is the InChIKey of 1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione?
The InChIKey is RKCMNPMZKCWSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-8(18)9-6-7-11-14(16(9)20)17(21)13-10(15(11)19)4-3-5-12(13)22-2/h3-8,18,20H,1-2H3.
What are the key properties of 1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione?
1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione has a molecular weight of 298.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione is sourced from PubChem (CID 11300971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).