2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate

C15H22O5 — CID 126733121

IUPAC2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate
SMILESO=C(OCCO)c1ccc(OCCCCCCO)cc1
InChIInChI=1S/C15H22O5/c16-9-3-1-2-4-11-19-14-7-5-13(6-8-14)15(18)20-12-10-17/h5-8,16-17H,1-4,9-12H2
InChIKeyUZCLIWAZMLWQAY-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.77
Rot. Bonds10

About 2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate

2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate (PubChem CID 126733121) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate.

Molecular Properties

Compound Name2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate
PubChem CID126733121
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate
SMILESO=C(OCCO)c1ccc(OCCCCCCO)cc1
InChIInChI=1S/C15H22O5/c16-9-3-1-2-4-11-19-14-7-5-13(6-8-14)15(18)20-12-10-17/h5-8,16-17H,1-4,9-12H2
InChIKeyUZCLIWAZMLWQAY-UHFFFAOYSA-N
XLogP1.77
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.77
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

4-hydroxybutyl 4-(2-bromoethoxy)benzoate
CID 101418992
[4-[4-[4-(6-hydroxyhexoxy)benzoyl]oxyphenoxy]carbonylphenyl] 4-(6-hydroxyhexoxy)benzoate
CID 164936549
bis(4-hydroxybutyl) benzene-1,4-dicarboxylate
CID 11001391
4-[2-[4-(2-hydroxyethoxy)phenoxy]ethoxycarbonyl]benzoic acid
CID 57119637
4-(5-hydroxypentoxycarbonyl)benzoic acid
CID 70119463
12-hydroxydodecyl 4-[4-(12-hydroxydodecoxycarbonyl)phenyl]benzoate
CID 139669439
[4-(11-hydroxyundecoxy)phenyl] 4-[4-(11-hydroxyundecoxy)phenyl]benzoate
CID 67639962
4-(4-hydroxybutoxy)benzoic acid
CID 15218596
4-[4-[4-[3-[4-[4-[4-(2-hydroxyethoxycarbonyl)benzoyl]oxybutanoyl]phenoxy]propoxycarbonyl]benzoyl]oxybutanoyl]benzoic acid
CID 154937105
5-[4-(5-benzoyloxypentoxy)phenoxy]pentyl benzoate
CID 139725792
[4-(2-hydroxyethoxycarbonyl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 168764528
4-[4-(6-hydroxyhexoxycarbonyl)phenyl]benzoic acid
CID 57269652

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate?
The IUPAC name of 2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate (CID 126733121) is 2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate.
What is the SMILES notation for 2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate?
The canonical SMILES for 2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate is O=C(OCCO)c1ccc(OCCCCCCO)cc1.
What is the InChIKey of 2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate?
The InChIKey is UZCLIWAZMLWQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c16-9-3-1-2-4-11-19-14-7-5-13(6-8-14)15(18)20-12-10-17/h5-8,16-17H,1-4,9-12H2.
What are the key properties of 2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate?
2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate has a molecular weight of 282.34 g/mol, XLogP of 1.77, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate is sourced from PubChem (CID 126733121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).