1-[3-(2,3-dihydroxypropyl)-4-hydroxyphenyl]ethanone

C11H14O4 — CID 44523099

IUPAC1-[3-(2,3-dihydroxypropyl)-4-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(O)c(CC(O)CO)c1
InChIInChI=1S/C11H14O4/c1-7(13)8-2-3-11(15)9(4-8)5-10(14)6-12/h2-4,10,12,14-15H,5-6H2,1H3
InChIKeyKJTSDPZGNRUWSP-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.49
Rot. Bonds4

About 1-[3-(2,3-dihydroxypropyl)-4-hydroxyphenyl]ethanone

1-[3-(2,3-dihydroxypropyl)-4-hydroxyphenyl]ethanone (PubChem CID 44523099) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-[3-(2,3-dihydroxypropyl)-4-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2,3-dihydroxypropyl)-4-hydroxyphenyl]ethanone
PubChem CID44523099
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name1-[3-(2,3-dihydroxypropyl)-4-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(O)c(CC(O)CO)c1
InChIInChI=1S/C11H14O4/c1-7(13)8-2-3-11(15)9(4-8)5-10(14)6-12/h2-4,10,12,14-15H,5-6H2,1H3
InChIKeyKJTSDPZGNRUWSP-UHFFFAOYSA-N
XLogP0.49
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydroxypropyl)-4-hydroxyphenyl]ethanone?
The IUPAC name of 1-[3-(2,3-dihydroxypropyl)-4-hydroxyphenyl]ethanone (CID 44523099) is 1-[3-(2,3-dihydroxypropyl)-4-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[3-(2,3-dihydroxypropyl)-4-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[3-(2,3-dihydroxypropyl)-4-hydroxyphenyl]ethanone is CC(=O)c1ccc(O)c(CC(O)CO)c1.
What is the InChIKey of 1-[3-(2,3-dihydroxypropyl)-4-hydroxyphenyl]ethanone?
The InChIKey is KJTSDPZGNRUWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7(13)8-2-3-11(15)9(4-8)5-10(14)6-12/h2-4,10,12,14-15H,5-6H2,1H3.
What are the key properties of 1-[3-(2,3-dihydroxypropyl)-4-hydroxyphenyl]ethanone?
1-[3-(2,3-dihydroxypropyl)-4-hydroxyphenyl]ethanone has a molecular weight of 210.23 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydroxypropyl)-4-hydroxyphenyl]ethanone is sourced from PubChem (CID 44523099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).