2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid

C15H14O5 — CID 131972187

IUPAC2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid
SMILESO=C(O)c1c(O)cc(CCc2ccc(O)cc2)cc1O
InChIInChI=1S/C15H14O5/c16-11-5-3-9(4-6-11)1-2-10-7-12(17)14(15(19)20)13(18)8-10/h3-8,16-18H,1-2H2,(H,19,20)
InChIKeyTVSLMPQUGHSJKL-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.29
Rot. Bonds4

About 2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid

2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid (PubChem CID 131972187) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid.

Molecular Properties

Compound Name2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid
PubChem CID131972187
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid
SMILESO=C(O)c1c(O)cc(CCc2ccc(O)cc2)cc1O
InChIInChI=1S/C15H14O5/c16-11-5-3-9(4-6-11)1-2-10-7-12(17)14(15(19)20)13(18)8-10/h3-8,16-18H,1-2H2,(H,19,20)
InChIKeyTVSLMPQUGHSJKL-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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Related Compounds

4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715405
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol
CID 174620006
4-[2-[3-[2-(4-carboxy-3-hydroxyphenyl)ethyl]-5-hydroxyphenyl]ethyl]-2-hydroxybenzoic acid
CID 171715379
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one
CID 14826836
1-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)pentan-3-one
CID 56847287
4-[2-[4,5-dihydroxy-2-[2-(3,4,5-trihydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715552
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol
CID 163472366
4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid
CID 171715325
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid
CID 171715672
trisodium;bis(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one);phosphate
CID 70567551

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid?
The IUPAC name of 2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid (CID 131972187) is 2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid.
What is the SMILES notation for 2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid?
The canonical SMILES for 2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid is O=C(O)c1c(O)cc(CCc2ccc(O)cc2)cc1O.
What is the InChIKey of 2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid?
The InChIKey is TVSLMPQUGHSJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c16-11-5-3-9(4-6-11)1-2-10-7-12(17)14(15(19)20)13(18)8-10/h3-8,16-18H,1-2H2,(H,19,20).
What are the key properties of 2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid?
2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic 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 2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid is sourced from PubChem (CID 131972187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).