10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate

C19H26Cl2O4 — CID 91736263

IUPAC10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate
SMILESCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H26Cl2O4/c1-2-13-24-18(22)9-7-5-3-4-6-8-10-19(23)25-17-12-11-15(20)14-16(17)21/h11-12,14H,2-10,13H2,1H3
InChIKeyKCLAGBQNCRKETJ-UHFFFAOYSA-N
MW389.32 g/mol
LogP5.97
Rot. Bonds12

About 10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate

10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate (PubChem CID 91736263) has the molecular formula C19H26Cl2O4 and a molecular weight of 389.32 g/mol. Its IUPAC name is 10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate.

Molecular Properties

Compound Name10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate
PubChem CID91736263
Molecular FormulaC19H26Cl2O4
Molecular Weight389.32 g/mol
Exact Mass388.12
IUPAC Name10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate
SMILESCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H26Cl2O4/c1-2-13-24-18(22)9-7-5-3-4-6-8-10-19(23)25-17-12-11-15(20)14-16(17)21/h11-12,14H,2-10,13H2,1H3
InChIKeyKCLAGBQNCRKETJ-UHFFFAOYSA-N
XLogP5.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.32
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-O-(2-chloro-5-methylphenyl) 1-O-propyl decanedioate
CID 91736213
bis(2,4-dichlorophenyl) pentanedioate
CID 91739168
10-O-(2,5-dichlorophenyl) 1-O-pentyl decanedioate
CID 91729248
10-O-(4-chloro-2-methylphenyl) 1-O-undecyl decanedioate
CID 91728971
7-O-(3,4-dichlorophenyl) 1-O-propyl heptanedioate
CID 91712663
10-O-[(2,5-dichlorophenyl)methyl] 1-O-propyl decanedioate
CID 91729099
1-O-butyl 5-O-(4-chloro-2-methylphenyl) pentanedioate
CID 91708642
1-O-dodecyl 6-O-(2,4,5-trichlorophenyl) hexanedioate
CID 91713643
1-O-propyl 4-O-(2,3,5-trichlorophenyl) butanedioate
CID 91702584
6-O-(2-chloro-5-methylphenyl) 1-O-octyl hexanedioate
CID 91713504
10-O-(2-chloro-5-methylphenyl) 1-O-hexyl decanedioate
CID 91729364
10-O-(2-fluorophenyl) 1-O-propyl decanedioate
CID 91736313

Frequently Asked Questions

What is the IUPAC name of 10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate?
The IUPAC name of 10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate (CID 91736263) is 10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate.
What is the SMILES notation for 10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate?
The canonical SMILES for 10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate is CCCOC(=O)CCCCCCCCC(=O)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate?
The InChIKey is KCLAGBQNCRKETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2O4/c1-2-13-24-18(22)9-7-5-3-4-6-8-10-19(23)25-17-12-11-15(20)14-16(17)21/h11-12,14H,2-10,13H2,1H3.
What are the key properties of 10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate?
10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate has a molecular weight of 389.32 g/mol, XLogP of 5.97, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate is sourced from PubChem (CID 91736263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).