1-chloro-5-hydroxyanthracene-9,10-dione

C14H7ClO3 — CID 12631756

IUPAC1-chloro-5-hydroxyanthracene-9,10-dione
SMILESO=C1c2cccc(Cl)c2C(=O)c2cccc(O)c21
InChIInChI=1S/C14H7ClO3/c15-9-5-1-3-7-11(9)13(17)8-4-2-6-10(16)12(8)14(7)18/h1-6,16H
InChIKeyYWXQQHWCNBVZPD-UHFFFAOYSA-N
MW258.66 g/mol
LogP2.82
Rot. Bonds

About 1-chloro-5-hydroxyanthracene-9,10-dione

1-chloro-5-hydroxyanthracene-9,10-dione (PubChem CID 12631756) has the molecular formula C14H7ClO3 and a molecular weight of 258.66 g/mol. Its IUPAC name is 1-chloro-5-hydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-chloro-5-hydroxyanthracene-9,10-dione
PubChem CID12631756
Molecular FormulaC14H7ClO3
Molecular Weight258.66 g/mol
Exact Mass258.01
IUPAC Name1-chloro-5-hydroxyanthracene-9,10-dione
SMILESO=C1c2cccc(Cl)c2C(=O)c2cccc(O)c21
InChIInChI=1S/C14H7ClO3/c15-9-5-1-3-7-11(9)13(17)8-4-2-6-10(16)12(8)14(7)18/h1-6,16H
InChIKeyYWXQQHWCNBVZPD-UHFFFAOYSA-N
XLogP2.82
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-hydroxyanthracene-9,10-dione?
The IUPAC name of 1-chloro-5-hydroxyanthracene-9,10-dione (CID 12631756) is 1-chloro-5-hydroxyanthracene-9,10-dione.
What is the SMILES notation for 1-chloro-5-hydroxyanthracene-9,10-dione?
The canonical SMILES for 1-chloro-5-hydroxyanthracene-9,10-dione is O=C1c2cccc(Cl)c2C(=O)c2cccc(O)c21.
What is the InChIKey of 1-chloro-5-hydroxyanthracene-9,10-dione?
The InChIKey is YWXQQHWCNBVZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClO3/c15-9-5-1-3-7-11(9)13(17)8-4-2-6-10(16)12(8)14(7)18/h1-6,16H.
What are the key properties of 1-chloro-5-hydroxyanthracene-9,10-dione?
1-chloro-5-hydroxyanthracene-9,10-dione has a molecular weight of 258.66 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-hydroxyanthracene-9,10-dione is sourced from PubChem (CID 12631756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).