1-hydroxy-8-prop-2-ynoxyanthracene-9,10-dione

C17H10O4 — CID 102457087

IUPAC1-hydroxy-8-prop-2-ynoxyanthracene-9,10-dione
SMILESC#CCOc1cccc2c1C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C17H10O4/c1-2-9-21-13-8-4-6-11-15(13)17(20)14-10(16(11)19)5-3-7-12(14)18/h1,3-8,18H,9H2
InChIKeyWLRZUIIXHFVZHU-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.18
Rot. Bonds2

About 1-hydroxy-8-prop-2-ynoxyanthracene-9,10-dione

1-hydroxy-8-prop-2-ynoxyanthracene-9,10-dione (PubChem CID 102457087) has the molecular formula C17H10O4 and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-hydroxy-8-prop-2-ynoxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-hydroxy-8-prop-2-ynoxyanthracene-9,10-dione
PubChem CID102457087
Molecular FormulaC17H10O4
Molecular Weight278.26 g/mol
Exact Mass278.06
IUPAC Name1-hydroxy-8-prop-2-ynoxyanthracene-9,10-dione
SMILESC#CCOc1cccc2c1C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C17H10O4/c1-2-9-21-13-8-4-6-11-15(13)17(20)14-10(16(11)19)5-3-7-12(14)18/h1,3-8,18H,9H2
InChIKeyWLRZUIIXHFVZHU-UHFFFAOYSA-N
XLogP2.18
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(8-hydroxy-9,10-dioxoanthracen-1-yl) hydrogen sulfate
CID 54412600
1,2-bis(prop-2-ynoxy)anthracene-9,10-dione
CID 102457084
1,8-bis(3-iodopropoxy)anthracene-9,10-dione
CID 634217
1-(2-hydroxyethoxy)anthracene-9,10-dione
CID 67340699
1,8-dihydroxy-3-methyl-6-prop-2-ynoxyanthracene-9,10-dione
CID 155525964
8-hydroxy-1,3-dimethoxyanthracene-9,10-dione
CID 158328422
[(3R,6S)-4,5,6-triacetyloxy-2-[(8-hydroxy-9,10-dioxoanthracen-1-yl)oxymethyl]oxan-3-yl] acetate
CID 24833799
[9,10-dioxo-8-(trifluoromethylsulfonyloxy)anthracen-1-yl] trifluoromethanesulfonate
CID 627940
1-hydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
CID 6713893
bis(1-acetyl-5-hydroxyanthracene-9,10-dione);1-acetyl-5-phenylmethoxyanthracene-9,10-dione
CID 160936105
1-chloro-5-hydroxyanthracene-9,10-dione
CID 12631756
CID 158452185
CID 158452185

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-8-prop-2-ynoxyanthracene-9,10-dione?
The IUPAC name of 1-hydroxy-8-prop-2-ynoxyanthracene-9,10-dione (CID 102457087) is 1-hydroxy-8-prop-2-ynoxyanthracene-9,10-dione.
What is the SMILES notation for 1-hydroxy-8-prop-2-ynoxyanthracene-9,10-dione?
The canonical SMILES for 1-hydroxy-8-prop-2-ynoxyanthracene-9,10-dione is C#CCOc1cccc2c1C(=O)c1c(O)cccc1C2=O.
What is the InChIKey of 1-hydroxy-8-prop-2-ynoxyanthracene-9,10-dione?
The InChIKey is WLRZUIIXHFVZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O4/c1-2-9-21-13-8-4-6-11-15(13)17(20)14-10(16(11)19)5-3-7-12(14)18/h1,3-8,18H,9H2.
What are the key properties of 1-hydroxy-8-prop-2-ynoxyanthracene-9,10-dione?
1-hydroxy-8-prop-2-ynoxyanthracene-9,10-dione has a molecular weight of 278.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-8-prop-2-ynoxyanthracene-9,10-dione is sourced from PubChem (CID 102457087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).