1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione

C14H6Cl2O4 — CID 23271

IUPAC1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione
SMILESO=C1c2c(O)ccc(Cl)c2C(=O)c2c(O)ccc(Cl)c21
InChIInChI=1S/C14H6Cl2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,17-18H
InChIKeyMVTQMYUSTKVGRP-UHFFFAOYSA-N
MW309.10 g/mol
LogP3.18
Rot. Bonds

About 1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione

1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione (PubChem CID 23271) has the molecular formula C14H6Cl2O4 and a molecular weight of 309.10 g/mol. Its IUPAC name is 1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione
PubChem CID23271
Molecular FormulaC14H6Cl2O4
Molecular Weight309.10 g/mol
Exact Mass307.96
IUPAC Name1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione
SMILESO=C1c2c(O)ccc(Cl)c2C(=O)c2c(O)ccc(Cl)c21
InChIInChI=1S/C14H6Cl2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,17-18H
InChIKeyMVTQMYUSTKVGRP-UHFFFAOYSA-N
XLogP3.18
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.10
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione?
The IUPAC name of 1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione (CID 23271) is 1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione.
What is the SMILES notation for 1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione?
The canonical SMILES for 1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione is O=C1c2c(O)ccc(Cl)c2C(=O)c2c(O)ccc(Cl)c21.
What is the InChIKey of 1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione?
The InChIKey is MVTQMYUSTKVGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,17-18H.
What are the key properties of 1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione?
1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione has a molecular weight of 309.10 g/mol, XLogP of 3.18, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione is sourced from PubChem (CID 23271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).