2-ethylhexyl 2-hydroxybenzoate

C15H22O3 — CID 8364

💊View drug profile → octisalate
IUPAC2-ethylhexyl 2-hydroxybenzoate
SMILESCCCCC(CC)COC(=O)c1ccccc1O
InChIInChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3
InChIKeyFMRHJJZUHUTGKE-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.77
Rot. Bonds7

About 2-ethylhexyl 2-hydroxybenzoate

2-ethylhexyl 2-hydroxybenzoate (PubChem CID 8364) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-ethylhexyl 2-hydroxybenzoate.

Molecular Properties

Compound Name2-ethylhexyl 2-hydroxybenzoate
PubChem CID8364
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-ethylhexyl 2-hydroxybenzoate
SMILESCCCCC(CC)COC(=O)c1ccccc1O
InChIInChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3
InChIKeyFMRHJJZUHUTGKE-UHFFFAOYSA-N
XLogP3.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Salicylic Acid
CID 338
Propylparaben
CID 7175
Butylparaben
CID 7184
Methyl Salicylate
CID 4133
Ethylparaben
CID 8434
Aspirin
CID 2244
Salicylaldehyde
CID 6998
Benzyl Salicylate
CID 8363
Sodium Salicylate
CID 16760658
Salsalate
CID 5161
Salicylate
CID 54675850
Homosalate
CID 8362

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-hydroxybenzoate?
The IUPAC name of 2-ethylhexyl 2-hydroxybenzoate (CID 8364) is 2-ethylhexyl 2-hydroxybenzoate.
What is the SMILES notation for 2-ethylhexyl 2-hydroxybenzoate?
The canonical SMILES for 2-ethylhexyl 2-hydroxybenzoate is CCCCC(CC)COC(=O)c1ccccc1O.
What is the InChIKey of 2-ethylhexyl 2-hydroxybenzoate?
The InChIKey is FMRHJJZUHUTGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3.
What are the key properties of 2-ethylhexyl 2-hydroxybenzoate?
2-ethylhexyl 2-hydroxybenzoate has a molecular weight of 250.34 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-hydroxybenzoate is sourced from PubChem (CID 8364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).