2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate

C11H14O6 — CID 78088469

IUPAC2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate
SMILESCc1cc(O)cc(O)c1C(=O)OCC(O)CO
InChIInChI=1S/C11H14O6/c1-6-2-7(13)3-9(15)10(6)11(16)17-5-8(14)4-12/h2-3,8,12-15H,4-5H2,1H3
InChIKeyFUTKBYODICXHRE-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.08
Rot. Bonds4

About 2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate

2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate (PubChem CID 78088469) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate
PubChem CID78088469
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate
SMILESCc1cc(O)cc(O)c1C(=O)OCC(O)CO
InChIInChI=1S/C11H14O6/c1-6-2-7(13)3-9(15)10(6)11(16)17-5-8(14)4-12/h2-3,8,12-15H,4-5H2,1H3
InChIKeyFUTKBYODICXHRE-UHFFFAOYSA-N
XLogP-0.08
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate?
The IUPAC name of 2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate (CID 78088469) is 2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate.
What is the SMILES notation for 2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate?
The canonical SMILES for 2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate is Cc1cc(O)cc(O)c1C(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate?
The InChIKey is FUTKBYODICXHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-6-2-7(13)3-9(15)10(6)11(16)17-5-8(14)4-12/h2-3,8,12-15H,4-5H2,1H3.
What are the key properties of 2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate?
2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate has a molecular weight of 242.23 g/mol, XLogP of -0.08, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate is sourced from PubChem (CID 78088469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).