5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione

C18H16O4 — CID 143783020

IUPAC5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione
SMILESCOc1ccc(C)c2c1C(=O)c1c(cccc1C(C)O)C2=O
InChIInChI=1S/C18H16O4/c1-9-7-8-13(22-3)16-14(9)17(20)12-6-4-5-11(10(2)19)15(12)18(16)21/h4-8,10,19H,1-3H3
InChIKeyJWUADCZQLSGOTJ-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.83
Rot. Bonds2

About 5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione

5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione (PubChem CID 143783020) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione
PubChem CID143783020
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione
SMILESCOc1ccc(C)c2c1C(=O)c1c(cccc1C(C)O)C2=O
InChIInChI=1S/C18H16O4/c1-9-7-8-13(22-3)16-14(9)17(20)12-6-4-5-11(10(2)19)15(12)18(16)21/h4-8,10,19H,1-3H3
InChIKeyJWUADCZQLSGOTJ-UHFFFAOYSA-N
XLogP2.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.83
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-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione
CID 11300971
1,5-dimethoxyfluoren-9-one
CID 19594782
2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione
CID 14861205
5-chloro-1,4-dimethylanthracene-9,10-dione
CID 141467229
3-[2,6-di(propan-2-yl)phenyl]-1-methoxy-2,4-dimethylbenzene
CID 58112663
1,4-dimethylanthracene-9,10-dione;2,3-dimethylanthracene-9,10-dione
CID 158117057
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
1-(dimethylamino)-4-methoxyanthracene-9,10-dione
CID 12750463
6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane
CID 123863601
5-methoxy-9,10-dioxoanthracene-2-carboxamide
CID 169240451
5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione
CID 633617
1,4-dihydroxy-5,8-dimethoxyanthracene-9,10-dione
CID 21437455

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione?
The IUPAC name of 5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione (CID 143783020) is 5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione.
What is the SMILES notation for 5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione?
The canonical SMILES for 5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione is COc1ccc(C)c2c1C(=O)c1c(cccc1C(C)O)C2=O.
What is the InChIKey of 5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione?
The InChIKey is JWUADCZQLSGOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-9-7-8-13(22-3)16-14(9)17(20)12-6-4-5-11(10(2)19)15(12)18(16)21/h4-8,10,19H,1-3H3.
What are the key properties of 5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione?
5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione has a molecular weight of 296.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione is sourced from PubChem (CID 143783020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).