2-ethylhexyl 2,3-dihydroxybenzoate

C15H22O4 — CID 175413950

IUPAC2-ethylhexyl 2,3-dihydroxybenzoate
SMILESCCCCC(CC)COC(=O)c1cccc(O)c1O
InChIInChI=1S/C15H22O4/c1-3-5-7-11(4-2)10-19-15(18)12-8-6-9-13(16)14(12)17/h6,8-9,11,16-17H,3-5,7,10H2,1-2H3
InChIKeyXJDFNLBYDHBCFY-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.47
Rot. Bonds7

About 2-ethylhexyl 2,3-dihydroxybenzoate

2-ethylhexyl 2,3-dihydroxybenzoate (PubChem CID 175413950) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-ethylhexyl 2,3-dihydroxybenzoate.

Molecular Properties

Compound Name2-ethylhexyl 2,3-dihydroxybenzoate
PubChem CID175413950
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-ethylhexyl 2,3-dihydroxybenzoate
SMILESCCCCC(CC)COC(=O)c1cccc(O)c1O
InChIInChI=1S/C15H22O4/c1-3-5-7-11(4-2)10-19-15(18)12-8-6-9-13(16)14(12)17/h6,8-9,11,16-17H,3-5,7,10H2,1-2H3
InChIKeyXJDFNLBYDHBCFY-UHFFFAOYSA-N
XLogP3.47
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
bis(2-ethyldecyl) benzene-1,2-dicarboxylate
CID 18462811
1-O-(2-ethyldecyl) 2-O-(2-ethylundecyl) benzene-1,2-dicarboxylate
CID 44589518
[2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate
CID 146469755
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
CID 67686577
2-ethylhexyl 2-(diethylamino)benzoate
CID 68841644
4-O,5-O-diethyl 1-O,2-O-bis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate
CID 50905906
ethanol;2-(2-ethylhexoxycarbonyl)benzoic acid
CID 175410629
1-O-decyl 2-O-(2-ethylhexyl) benzene-1,2-dicarboxylate
CID 3020636
1-O,4-O-bis[(2R)-2-ethylhexyl] 2-O-[(2S)-2-ethylhexyl] benzene-1,2,4-tricarboxylate
CID 42580152
4-(2-ethylhexoxycarbonyl)benzene-1,2,3-tricarboxylic acid
CID 141451805
2,3,4-tris(2-ethylhexoxycarbonyl)benzoic acid
CID 141011156

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2,3-dihydroxybenzoate?
The IUPAC name of 2-ethylhexyl 2,3-dihydroxybenzoate (CID 175413950) is 2-ethylhexyl 2,3-dihydroxybenzoate.
What is the SMILES notation for 2-ethylhexyl 2,3-dihydroxybenzoate?
The canonical SMILES for 2-ethylhexyl 2,3-dihydroxybenzoate is CCCCC(CC)COC(=O)c1cccc(O)c1O.
What is the InChIKey of 2-ethylhexyl 2,3-dihydroxybenzoate?
The InChIKey is XJDFNLBYDHBCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-5-7-11(4-2)10-19-15(18)12-8-6-9-13(16)14(12)17/h6,8-9,11,16-17H,3-5,7,10H2,1-2H3.
What are the key properties of 2-ethylhexyl 2,3-dihydroxybenzoate?
2-ethylhexyl 2,3-dihydroxybenzoate has a molecular weight of 266.34 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2,3-dihydroxybenzoate is sourced from PubChem (CID 175413950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).