ethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid

C20H24O8 — CID 174414438

IUPACethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid
SMILESCCOC(C)=O.CCc1cccc(C(=O)O)c1O.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C9H10O3.C7H6O3.C4H8O2/c1-2-6-4-3-5-7(8(6)10)9(11)12;8-6-3-1-5(2-4-6)7(9)10;1-3-6-4(2)5/h3-5,10H,2H2,1H3,(H,11,12);1-4,8H,(H,9,10);3H2,1-2H3
InChIKeyOYSBQXJERLAPRU-UHFFFAOYSA-N
MW392.40 g/mol
LogP3.31
Rot. Bonds4

About ethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid

ethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid (PubChem CID 174414438) has the molecular formula C20H24O8 and a molecular weight of 392.40 g/mol. Its IUPAC name is ethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid.

Molecular Properties

Compound Nameethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid
PubChem CID174414438
Molecular FormulaC20H24O8
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC Nameethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid
SMILESCCOC(C)=O.CCc1cccc(C(=O)O)c1O.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C9H10O3.C7H6O3.C4H8O2/c1-2-6-4-3-5-7(8(6)10)9(11)12;8-6-3-1-5(2-4-6)7(9)10;1-3-6-4(2)5/h3-5,10H,2H2,1H3,(H,11,12);1-4,8H,(H,9,10);3H2,1-2H3
InChIKeyOYSBQXJERLAPRU-UHFFFAOYSA-N
XLogP3.31
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 101432634
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CID 162068565
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CID 141325026
ethyl acetate;4-methoxybenzoic acid
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CID 67150268
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3-butyl-2-hydroxybenzoic acid
CID 18681512
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CID 158740772
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Frequently Asked Questions

What is the IUPAC name of ethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid?
The IUPAC name of ethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid (CID 174414438) is ethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid.
What is the SMILES notation for ethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid?
The canonical SMILES for ethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid is CCOC(C)=O.CCc1cccc(C(=O)O)c1O.O=C(O)c1ccc(O)cc1.
What is the InChIKey of ethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid?
The InChIKey is OYSBQXJERLAPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C7H6O3.C4H8O2/c1-2-6-4-3-5-7(8(6)10)9(11)12;8-6-3-1-5(2-4-6)7(9)10;1-3-6-4(2)5/h3-5,10H,2H2,1H3,(H,11,12);1-4,8H,(H,9,10);3H2,1-2H3.
What are the key properties of ethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid?
ethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid has a molecular weight of 392.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid is sourced from PubChem (CID 174414438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).