[6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate

C35H19Cl3O9 — CID 22903142

IUPAC[6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate
SMILESO=C(Oc1ccc2c(OC(=O)c3ccc(O)c(Cl)c3)c3cc(OC(=O)c4ccc(O)c(Cl)c4)ccc3cc2c1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C35H19Cl3O9/c36-26-13-18(2-8-29(26)39)33(42)45-22-6-7-24-21(12-22)11-17-1-5-23(46-34(43)19-3-9-30(40)27(37)14-19)16-25(17)32(24)47-35(44)20-4-10-31(41)28(38)15-20/h1-16,39-41H
InChIKeyMJAXDKQCFWAPJI-UHFFFAOYSA-N
MW689.89 g/mol
LogP8.73
Rot. Bonds6

About [6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate

[6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate (PubChem CID 22903142) has the molecular formula C35H19Cl3O9 and a molecular weight of 689.89 g/mol. Its IUPAC name is [6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate.

Molecular Properties

Compound Name[6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate
PubChem CID22903142
Molecular FormulaC35H19Cl3O9
Molecular Weight689.89 g/mol
Exact Mass688.01
IUPAC Name[6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate
SMILESO=C(Oc1ccc2c(OC(=O)c3ccc(O)c(Cl)c3)c3cc(OC(=O)c4ccc(O)c(Cl)c4)ccc3cc2c1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C35H19Cl3O9/c36-26-13-18(2-8-29(26)39)33(42)45-22-6-7-24-21(12-22)11-17-1-5-23(46-34(43)19-3-9-30(40)27(37)14-19)16-25(17)32(24)47-35(44)20-4-10-31(41)28(38)15-20/h1-16,39-41H
InChIKeyMJAXDKQCFWAPJI-UHFFFAOYSA-N
XLogP8.73
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.89
LogP ≤ 58.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate?
The IUPAC name of [6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate (CID 22903142) is [6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate.
What is the SMILES notation for [6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate?
The canonical SMILES for [6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate is O=C(Oc1ccc2c(OC(=O)c3ccc(O)c(Cl)c3)c3cc(OC(=O)c4ccc(O)c(Cl)c4)ccc3cc2c1)c1ccc(O)c(Cl)c1.
What is the InChIKey of [6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate?
The InChIKey is MJAXDKQCFWAPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19Cl3O9/c36-26-13-18(2-8-29(26)39)33(42)45-22-6-7-24-21(12-22)11-17-1-5-23(46-34(43)19-3-9-30(40)27(37)14-19)16-25(17)32(24)47-35(44)20-4-10-31(41)28(38)15-20/h1-16,39-41H.
What are the key properties of [6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate?
[6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate has a molecular weight of 689.89 g/mol, XLogP of 8.73, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate is sourced from PubChem (CID 22903142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).