3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate

C17H14Cl2O6 — CID 139915014

IUPAC3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate
SMILESO=C(OCCCOC(=O)c1ccc(O)c(Cl)c1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C17H14Cl2O6/c18-12-8-10(2-4-14(12)20)16(22)24-6-1-7-25-17(23)11-3-5-15(21)13(19)9-11/h2-5,8-9,20-21H,1,6-7H2
InChIKeyAURRITYRMXVQDT-UHFFFAOYSA-N
MW385.20 g/mol
LogP3.81
Rot. Bonds6

About 3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate

3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate (PubChem CID 139915014) has the molecular formula C17H14Cl2O6 and a molecular weight of 385.20 g/mol. Its IUPAC name is 3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate.

Molecular Properties

Compound Name3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate
PubChem CID139915014
Molecular FormulaC17H14Cl2O6
Molecular Weight385.20 g/mol
Exact Mass384.02
IUPAC Name3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate
SMILESO=C(OCCCOC(=O)c1ccc(O)c(Cl)c1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C17H14Cl2O6/c18-12-8-10(2-4-14(12)20)16(22)24-6-1-7-25-17(23)11-3-5-15(21)13(19)9-11/h2-5,8-9,20-21H,1,6-7H2
InChIKeyAURRITYRMXVQDT-UHFFFAOYSA-N
XLogP3.81
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylprop-2-enoyloxy)pentyl 3-chloro-4-hydroxybenzoate
CID 11267383
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-chloro-4-hydroxybenzoate
CID 56695554
(4-dodecoxycarbonylphenyl) 3-chloro-4-hydroxybenzoate
CID 19824457
benzyl 3-chloro-4-hydroxybenzoate
CID 54290465
3-(4-hydroxy-3-methoxybenzoyl)oxypropyl 4-hydroxy-3-methoxybenzoate
CID 45376005
5-(3-bromo-4-hydroxybenzoyl)oxypentyl 3-bromo-4-hydroxybenzoate
CID 139915009
heptyl 3,4-dichlorobenzoate
CID 122397829
3-chloro-4-hydroxybenzamide
CID 22932347
10-hydroxydecyl 3,4-dihydroxybenzoate
CID 176884510
6-hydroxyhexyl 4-amino-3-chlorobenzoate
CID 103925165
butyl 3-chloro-4-fluorobenzoate
CID 79020284
4-methoxybutyl 4-amino-3-chlorobenzoate
CID 104648957

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate?
The IUPAC name of 3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate (CID 139915014) is 3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate.
What is the SMILES notation for 3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate?
The canonical SMILES for 3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate is O=C(OCCCOC(=O)c1ccc(O)c(Cl)c1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate?
The InChIKey is AURRITYRMXVQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O6/c18-12-8-10(2-4-14(12)20)16(22)24-6-1-7-25-17(23)11-3-5-15(21)13(19)9-11/h2-5,8-9,20-21H,1,6-7H2.
What are the key properties of 3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate?
3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate has a molecular weight of 385.20 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate is sourced from PubChem (CID 139915014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).