5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid

C15H14O5 — CID 90285728

IUPAC5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid
SMILESCC(c1ccc(O)c(C(=O)O)c1)c1cc(O)ccc1O
InChIInChI=1S/C15H14O5/c1-8(11-7-10(16)3-5-13(11)17)9-2-4-14(18)12(6-9)15(19)20/h2-8,16-18H,1H3,(H,19,20)
InChIKeyLVSAGKQOIZHIAE-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.65
Rot. Bonds3

About 5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid

5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid (PubChem CID 90285728) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid
PubChem CID90285728
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid
SMILESCC(c1ccc(O)c(C(=O)O)c1)c1cc(O)ccc1O
InChIInChI=1S/C15H14O5/c1-8(11-7-10(16)3-5-13(11)17)9-2-4-14(18)12(6-9)15(19)20/h2-8,16-18H,1H3,(H,19,20)
InChIKeyLVSAGKQOIZHIAE-UHFFFAOYSA-N
XLogP2.65
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 11402235
2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid
CID 131037950
2,5-dihydroxybenzoic acid;methanol
CID 174970806
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid
CID 55276012
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
2,5-dihydroxy-4-(1-phenylethyl)benzoic acid
CID 21413983
2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid
CID 67582989
5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid
CID 139751283
2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid
CID 139751321
ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid (CID 90285728) is 5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid is CC(c1ccc(O)c(C(=O)O)c1)c1cc(O)ccc1O.
What is the InChIKey of 5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid?
The InChIKey is LVSAGKQOIZHIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-8(11-7-10(16)3-5-13(11)17)9-2-4-14(18)12(6-9)15(19)20/h2-8,16-18H,1H3,(H,19,20).
What are the key properties of 5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid?
5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid has a molecular weight of 274.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 90285728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).