ethanol;ethoxyethane;2-hydroxybenzoic acid

C13H22O5 — CID 69130253

IUPACethanol;ethoxyethane;2-hydroxybenzoic acid
SMILESCCO.CCOCC.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C4H10O.C2H6O/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2;1-2-3/h1-4,8H,(H,9,10);3-4H2,1-2H3;3H,2H2,1H3
InChIKeyRJYSHXITGNSGBF-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.13
Rot. Bonds3

About ethanol;ethoxyethane;2-hydroxybenzoic acid

ethanol;ethoxyethane;2-hydroxybenzoic acid (PubChem CID 69130253) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is ethanol;ethoxyethane;2-hydroxybenzoic acid.

Molecular Properties

Compound Nameethanol;ethoxyethane;2-hydroxybenzoic acid
PubChem CID69130253
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Nameethanol;ethoxyethane;2-hydroxybenzoic acid
SMILESCCO.CCOCC.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C4H10O.C2H6O/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2;1-2-3/h1-4,8H,(H,9,10);3-4H2,1-2H3;3H,2H2,1H3
InChIKeyRJYSHXITGNSGBF-UHFFFAOYSA-N
XLogP2.13
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-butoxybutane;2-hydroxybenzoic acid
CID 160692059
2-hydroxybenzoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 70560732
2-hydroxybenzoic acid;silver
CID 87326670
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
docosane;2-hydroxybenzoic acid
CID 161423500
N,N-dimethylmethanamine;2-hydroxybenzoic acid
CID 173188925

Frequently Asked Questions

What is the IUPAC name of ethanol;ethoxyethane;2-hydroxybenzoic acid?
The IUPAC name of ethanol;ethoxyethane;2-hydroxybenzoic acid (CID 69130253) is ethanol;ethoxyethane;2-hydroxybenzoic acid.
What is the SMILES notation for ethanol;ethoxyethane;2-hydroxybenzoic acid?
The canonical SMILES for ethanol;ethoxyethane;2-hydroxybenzoic acid is CCO.CCOCC.O=C(O)c1ccccc1O.
What is the InChIKey of ethanol;ethoxyethane;2-hydroxybenzoic acid?
The InChIKey is RJYSHXITGNSGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C4H10O.C2H6O/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2;1-2-3/h1-4,8H,(H,9,10);3-4H2,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;ethoxyethane;2-hydroxybenzoic acid?
ethanol;ethoxyethane;2-hydroxybenzoic acid has a molecular weight of 258.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethoxyethane;2-hydroxybenzoic acid is sourced from PubChem (CID 69130253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).