4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol

C14H14O4 — CID 24849532

IUPAC4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol
SMILESOc1ccc(CCc2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C14H14O4/c15-11-5-3-9(13(17)7-11)1-2-10-4-6-12(16)8-14(10)18/h3-8,15-18H,1-2H2
InChIKeyWKIFTWPZTZUMRN-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.29
Rot. Bonds3

About 4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol

4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol (PubChem CID 24849532) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol
PubChem CID24849532
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol
SMILESOc1ccc(CCc2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C14H14O4/c15-11-5-3-9(13(17)7-11)1-2-10-4-6-12(16)8-14(10)18/h3-8,15-18H,1-2H2
InChIKeyWKIFTWPZTZUMRN-UHFFFAOYSA-N
XLogP2.29
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol (CID 24849532) is 4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol is Oc1ccc(CCc2ccc(O)cc2O)c(O)c1.
What is the InChIKey of 4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol?
The InChIKey is WKIFTWPZTZUMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c15-11-5-3-9(13(17)7-11)1-2-10-4-6-12(16)8-14(10)18/h3-8,15-18H,1-2H2.
What are the key properties of 4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol?
4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol has a molecular weight of 246.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol is sourced from PubChem (CID 24849532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).