2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-chloro-4-hydroxybenzoate

C13H17ClO6 — CID 56695554

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-chloro-4-hydroxybenzoate
SMILESO=C(OCCOCCOCCO)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H17ClO6/c14-11-9-10(1-2-12(11)16)13(17)20-8-7-19-6-5-18-4-3-15/h1-2,9,15-16H,3-8H2
InChIKeyUKRPCEBCBDZLDV-UHFFFAOYSA-N
MW304.73 g/mol
LogP1.23
Rot. Bonds9

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-chloro-4-hydroxybenzoate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-chloro-4-hydroxybenzoate (PubChem CID 56695554) has the molecular formula C13H17ClO6 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-chloro-4-hydroxybenzoate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-chloro-4-hydroxybenzoate
PubChem CID56695554
Molecular FormulaC13H17ClO6
Molecular Weight304.73 g/mol
Exact Mass304.07
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-chloro-4-hydroxybenzoate
SMILESO=C(OCCOCCOCCO)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H17ClO6/c14-11-9-10(1-2-12(11)16)13(17)20-8-7-19-6-5-18-4-3-15/h1-2,9,15-16H,3-8H2
InChIKeyUKRPCEBCBDZLDV-UHFFFAOYSA-N
XLogP1.23
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 51.23
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

3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate
CID 139915014
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-chloro-3-nitrobenzoate
CID 72712613
2-(2-hydroxyethoxy)ethyl 4-amino-3-methylbenzoate
CID 61321259
benzyl 3-chloro-4-hydroxybenzoate
CID 54290465
5-(2-methylprop-2-enoyloxy)pentyl 3-chloro-4-hydroxybenzoate
CID 11267383
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate
CID 174814731
2-(3-methoxypropoxy)ethyl 4-amino-3-chlorobenzoate
CID 103178284
(4-dodecoxycarbonylphenyl) 3-chloro-4-hydroxybenzoate
CID 19824457
3-chloro-4-hydroxybenzamide
CID 22932347
4-O-(2-butoxyethyl) 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate
CID 175437580
10-hydroxydecyl 3,4-dihydroxybenzoate
CID 176884510
2-(2,2,2-trifluoroethoxy)ethyl 3-amino-4-chlorobenzoate
CID 61490517

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-chloro-4-hydroxybenzoate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-chloro-4-hydroxybenzoate (CID 56695554) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-chloro-4-hydroxybenzoate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-chloro-4-hydroxybenzoate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-chloro-4-hydroxybenzoate is O=C(OCCOCCOCCO)c1ccc(O)c(Cl)c1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-chloro-4-hydroxybenzoate?
The InChIKey is UKRPCEBCBDZLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO6/c14-11-9-10(1-2-12(11)16)13(17)20-8-7-19-6-5-18-4-3-15/h1-2,9,15-16H,3-8H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-chloro-4-hydroxybenzoate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-chloro-4-hydroxybenzoate has a molecular weight of 304.73 g/mol, XLogP of 1.23, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-chloro-4-hydroxybenzoate is sourced from PubChem (CID 56695554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).