3-amino-1,6,8-trihydroxy-10H-anthracen-9-one

C14H11NO4 — CID 71427610

IUPAC3-amino-1,6,8-trihydroxy-10H-anthracen-9-one
SMILESNc1cc(O)c2c(c1)Cc1cc(O)cc(O)c1C2=O
InChIInChI=1S/C14H11NO4/c15-8-2-6-1-7-3-9(16)5-11(18)13(7)14(19)12(6)10(17)4-8/h2-5,16-18H,1,15H2
InChIKeyTYUIDBMRQCYPSZ-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.52
Rot. Bonds

About 3-amino-1,6,8-trihydroxy-10H-anthracen-9-one

3-amino-1,6,8-trihydroxy-10H-anthracen-9-one (PubChem CID 71427610) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-amino-1,6,8-trihydroxy-10H-anthracen-9-one.

Molecular Properties

Compound Name3-amino-1,6,8-trihydroxy-10H-anthracen-9-one
PubChem CID71427610
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name3-amino-1,6,8-trihydroxy-10H-anthracen-9-one
SMILESNc1cc(O)c2c(c1)Cc1cc(O)cc(O)c1C2=O
InChIInChI=1S/C14H11NO4/c15-8-2-6-1-7-3-9(16)5-11(18)13(7)14(19)12(6)10(17)4-8/h2-5,16-18H,1,15H2
InChIKeyTYUIDBMRQCYPSZ-UHFFFAOYSA-N
XLogP1.52
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,6,8-trihydroxy-10H-anthracen-9-one?
The IUPAC name of 3-amino-1,6,8-trihydroxy-10H-anthracen-9-one (CID 71427610) is 3-amino-1,6,8-trihydroxy-10H-anthracen-9-one.
What is the SMILES notation for 3-amino-1,6,8-trihydroxy-10H-anthracen-9-one?
The canonical SMILES for 3-amino-1,6,8-trihydroxy-10H-anthracen-9-one is Nc1cc(O)c2c(c1)Cc1cc(O)cc(O)c1C2=O.
What is the InChIKey of 3-amino-1,6,8-trihydroxy-10H-anthracen-9-one?
The InChIKey is TYUIDBMRQCYPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c15-8-2-6-1-7-3-9(16)5-11(18)13(7)14(19)12(6)10(17)4-8/h2-5,16-18H,1,15H2.
What are the key properties of 3-amino-1,6,8-trihydroxy-10H-anthracen-9-one?
3-amino-1,6,8-trihydroxy-10H-anthracen-9-one has a molecular weight of 257.25 g/mol, XLogP of 1.52, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,6,8-trihydroxy-10H-anthracen-9-one is sourced from PubChem (CID 71427610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).