2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid

C15H14O5 — CID 24886444

IUPAC2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid
SMILESO=C(O)c1c(O)cccc1CCc1ccc(O)cc1O
InChIInChI=1S/C15H14O5/c16-11-7-6-9(13(18)8-11)4-5-10-2-1-3-12(17)14(10)15(19)20/h1-3,6-8,16-18H,4-5H2,(H,19,20)
InChIKeyYZCHIORSQSZSHC-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.29
Rot. Bonds4

About 2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid

2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid (PubChem CID 24886444) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid
PubChem CID24886444
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid
SMILESO=C(O)c1c(O)cccc1CCc1ccc(O)cc1O
InChIInChI=1S/C15H14O5/c16-11-7-6-9(13(18)8-11)4-5-10-2-1-3-12(17)14(10)15(19)20/h1-3,6-8,16-18H,4-5H2,(H,19,20)
InChIKeyYZCHIORSQSZSHC-UHFFFAOYSA-N
XLogP2.29
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid?
The IUPAC name of 2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid (CID 24886444) is 2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid.
What is the SMILES notation for 2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid?
The canonical SMILES for 2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid is O=C(O)c1c(O)cccc1CCc1ccc(O)cc1O.
What is the InChIKey of 2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid?
The InChIKey is YZCHIORSQSZSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c16-11-7-6-9(13(18)8-11)4-5-10-2-1-3-12(17)14(10)15(19)20/h1-3,6-8,16-18H,4-5H2,(H,19,20).
What are the key properties of 2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid?
2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid has a molecular weight of 274.27 g/mol, XLogP of 2.29, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid is sourced from PubChem (CID 24886444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).