1,8-dihydroxy-10H-anthracen-9-one

C14H10O3 — CID 2202

💊View drug profile → dithranol
IUPAC1,8-dihydroxy-10H-anthracen-9-one
SMILESO=C1c2c(O)cccc2Cc2cccc(O)c21
InChIInChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2
InChIKeyNUZWLKWWNNJHPT-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.23
Rot. Bonds

About 1,8-dihydroxy-10H-anthracen-9-one

1,8-dihydroxy-10H-anthracen-9-one (PubChem CID 2202) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1,8-dihydroxy-10H-anthracen-9-one.

Molecular Properties

Compound Name1,8-dihydroxy-10H-anthracen-9-one
PubChem CID2202
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name1,8-dihydroxy-10H-anthracen-9-one
SMILESO=C1c2c(O)cccc2Cc2cccc(O)c21
InChIInChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2
InChIKeyNUZWLKWWNNJHPT-UHFFFAOYSA-N
XLogP2.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Chrysophanol
CID 10208
Emodin
CID 3220
Alizarin
CID 6293
Rhein
CID 10168
1,8-Dihydroxyanthraquinone
CID 2950
Plumbagin
CID 10205
Juglone
CID 3806
Quinizarin
CID 6688
Aloe emodin
CID 10207
3-Hydroxy-2-naphthoic acid
CID 7104
2'-Hydroxychalcone
CID 638276
1-Hydroxyanthraquinone
CID 8512

Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-10H-anthracen-9-one?
The IUPAC name of 1,8-dihydroxy-10H-anthracen-9-one (CID 2202) is 1,8-dihydroxy-10H-anthracen-9-one.
What is the SMILES notation for 1,8-dihydroxy-10H-anthracen-9-one?
The canonical SMILES for 1,8-dihydroxy-10H-anthracen-9-one is O=C1c2c(O)cccc2Cc2cccc(O)c21.
What is the InChIKey of 1,8-dihydroxy-10H-anthracen-9-one?
The InChIKey is NUZWLKWWNNJHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2.
What are the key properties of 1,8-dihydroxy-10H-anthracen-9-one?
1,8-dihydroxy-10H-anthracen-9-one has a molecular weight of 226.23 g/mol, XLogP of 2.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-10H-anthracen-9-one is sourced from PubChem (CID 2202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).