2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate

C12H16O5 — CID 69170087

IUPAC2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate
SMILESO=C(OCCO)c1ccc(COCCO)cc1
InChIInChI=1S/C12H16O5/c13-5-7-16-9-10-1-3-11(4-2-10)12(15)17-8-6-14/h1-4,13-14H,5-9H2
InChIKeyOCCLPDNOPLGTSZ-UHFFFAOYSA-N
MW240.25 g/mol
LogP0.34
Rot. Bonds7

About 2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate

2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate (PubChem CID 69170087) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate.

Molecular Properties

Compound Name2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate
PubChem CID69170087
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate
SMILESO=C(OCCO)c1ccc(COCCO)cc1
InChIInChI=1S/C12H16O5/c13-5-7-16-9-10-1-3-11(4-2-10)12(15)17-8-6-14/h1-4,13-14H,5-9H2
InChIKeyOCCLPDNOPLGTSZ-UHFFFAOYSA-N
XLogP0.34
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(2-hydroxyethoxycarbonyl)phenyl]methylperoxy]ethyl 4-methylbenzoate
CID 122524322
ethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid
CID 161199390
4-O-(2-butoxyethyl) 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate
CID 175437580
bis(4-hydroxybutyl) benzene-1,4-dicarboxylate
CID 11001391
2-hydroxyethyl 4-(2-phenylphenyl)benzoate
CID 139650323
1-O-(2-hydroxyethyl) 4-O-[2-[hydroxy-[2-[4-(2-hydroxyethoxycarbonyl)benzoyl]oxyethoxy]phosphoryl]oxyethyl] benzene-1,4-dicarboxylate
CID 138530108
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate
CID 174814731
2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate
CID 59927733
2-hydroxyethyl 4-(methylsulfanylcarbothioylsulfanylmethyl)benzoate
CID 87163804
methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate
CID 122582432
2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate
CID 126733121
2-(2-hydroxyethoxy)ethyl 4-azidobenzoate
CID 171737111

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate?
The IUPAC name of 2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate (CID 69170087) is 2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate.
What is the SMILES notation for 2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate?
The canonical SMILES for 2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate is O=C(OCCO)c1ccc(COCCO)cc1.
What is the InChIKey of 2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate?
The InChIKey is OCCLPDNOPLGTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c13-5-7-16-9-10-1-3-11(4-2-10)12(15)17-8-6-14/h1-4,13-14H,5-9H2.
What are the key properties of 2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate?
2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate has a molecular weight of 240.25 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate is sourced from PubChem (CID 69170087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).