1,11-bis(2,3-dichlorophenyl)undecan-6-one

C23H26Cl4O — CID 70291531

IUPAC1,11-bis(2,3-dichlorophenyl)undecan-6-one
SMILESO=C(CCCCCc1cccc(Cl)c1Cl)CCCCCc1cccc(Cl)c1Cl
InChIInChI=1S/C23H26Cl4O/c24-20-15-7-11-17(22(20)26)9-3-1-5-13-19(28)14-6-2-4-10-18-12-8-16-21(25)23(18)27/h7-8,11-12,15-16H,1-6,9-10,13-14H2
InChIKeyGEKLXXAWMYNRID-UHFFFAOYSA-N
MW460.27 g/mol
LogP8.78
Rot. Bonds12

About 1,11-bis(2,3-dichlorophenyl)undecan-6-one

1,11-bis(2,3-dichlorophenyl)undecan-6-one (PubChem CID 70291531) has the molecular formula C23H26Cl4O and a molecular weight of 460.27 g/mol. Its IUPAC name is 1,11-bis(2,3-dichlorophenyl)undecan-6-one.

Molecular Properties

Compound Name1,11-bis(2,3-dichlorophenyl)undecan-6-one
PubChem CID70291531
Molecular FormulaC23H26Cl4O
Molecular Weight460.27 g/mol
Exact Mass458.07
IUPAC Name1,11-bis(2,3-dichlorophenyl)undecan-6-one
SMILESO=C(CCCCCc1cccc(Cl)c1Cl)CCCCCc1cccc(Cl)c1Cl
InChIInChI=1S/C23H26Cl4O/c24-20-15-7-11-17(22(20)26)9-3-1-5-13-19(28)14-6-2-4-10-18-12-8-16-21(25)23(18)27/h7-8,11-12,15-16H,1-6,9-10,13-14H2
InChIKeyGEKLXXAWMYNRID-UHFFFAOYSA-N
XLogP8.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.27
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,11-bis(2,3-dichlorophenyl)undecan-6-one with MolForge

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

Launch Full Analysis

Related Compounds

16-(2-chlorophenyl)hexadecanoic acid
CID 174356057
6-(3-acetamido-2-chlorophenyl)hexanethioic S-acid
CID 157048722
1,5-bis(2-bromo-3-chlorophenyl)pentan-3-one
CID 150068742
3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
1-(2-chlorophenyl)decan-2-one
CID 63409482
N-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane
CID 155707646
7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155511120
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
N-[2-chloro-3-(6-oxoheptyl)phenyl]-2-methylpropanamide
CID 155706938
2-hydroxy-6-(12-oxoheptadecyl)benzoic acid
CID 146683504
5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one
CID 107311350
3-bromo-4-(2,3-dichlorophenyl)butan-2-one
CID 62394098

Frequently Asked Questions

What is the IUPAC name of 1,11-bis(2,3-dichlorophenyl)undecan-6-one?
The IUPAC name of 1,11-bis(2,3-dichlorophenyl)undecan-6-one (CID 70291531) is 1,11-bis(2,3-dichlorophenyl)undecan-6-one.
What is the SMILES notation for 1,11-bis(2,3-dichlorophenyl)undecan-6-one?
The canonical SMILES for 1,11-bis(2,3-dichlorophenyl)undecan-6-one is O=C(CCCCCc1cccc(Cl)c1Cl)CCCCCc1cccc(Cl)c1Cl.
What is the InChIKey of 1,11-bis(2,3-dichlorophenyl)undecan-6-one?
The InChIKey is GEKLXXAWMYNRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl4O/c24-20-15-7-11-17(22(20)26)9-3-1-5-13-19(28)14-6-2-4-10-18-12-8-16-21(25)23(18)27/h7-8,11-12,15-16H,1-6,9-10,13-14H2.
What are the key properties of 1,11-bis(2,3-dichlorophenyl)undecan-6-one?
1,11-bis(2,3-dichlorophenyl)undecan-6-one has a molecular weight of 460.27 g/mol, XLogP of 8.78, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-bis(2,3-dichlorophenyl)undecan-6-one is sourced from PubChem (CID 70291531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).