2-hydroxyethyl 2-hydroxybenzoate

C9H10O4 — CID 6880

💊View drug profile → glycol salicylate
IUPAC2-hydroxyethyl 2-hydroxybenzoate
SMILESO=C(OCCO)c1ccccc1O
InChIInChI=1S/C9H10O4/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,10-11H,5-6H2
InChIKeyLVYLCBNXHHHPSB-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.54
Rot. Bonds3

About 2-hydroxyethyl 2-hydroxybenzoate

2-hydroxyethyl 2-hydroxybenzoate (PubChem CID 6880) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-hydroxyethyl 2-hydroxybenzoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-hydroxybenzoate
PubChem CID6880
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name2-hydroxyethyl 2-hydroxybenzoate
SMILESO=C(OCCO)c1ccccc1O
InChIInChI=1S/C9H10O4/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,10-11H,5-6H2
InChIKeyLVYLCBNXHHHPSB-UHFFFAOYSA-N
XLogP0.54
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Salicylic Acid
CID 338
Methyl Salicylate
CID 4133
Aspirin
CID 2244
Benzyl Salicylate
CID 8363
Sodium Salicylate
CID 16760658
Salsalate
CID 5161
Salicylate
CID 54675850
Homosalate
CID 8362
Phenyl Salicylate
CID 8361
3-Methylsalicylic Acid
CID 6738
2-Ethylhexyl salicylate
CID 8364
Ethyl Salicylate
CID 8365

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-hydroxybenzoate?
The IUPAC name of 2-hydroxyethyl 2-hydroxybenzoate (CID 6880) is 2-hydroxyethyl 2-hydroxybenzoate.
What is the SMILES notation for 2-hydroxyethyl 2-hydroxybenzoate?
The canonical SMILES for 2-hydroxyethyl 2-hydroxybenzoate is O=C(OCCO)c1ccccc1O.
What is the InChIKey of 2-hydroxyethyl 2-hydroxybenzoate?
The InChIKey is LVYLCBNXHHHPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,10-11H,5-6H2.
What are the key properties of 2-hydroxyethyl 2-hydroxybenzoate?
2-hydroxyethyl 2-hydroxybenzoate has a molecular weight of 182.17 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-hydroxybenzoate is sourced from PubChem (CID 6880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).