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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Related Compounds

(4-hydroxy-2-oxopentyl) 2,4-dihydroxy-6-methylbenzoate
CID 72978900
[(4R)-4-hydroxy-2-oxopentyl] 2,4-dihydroxy-6-methylbenzoate
CID 163007103
octyl 2,4-dihydroxy-6-methylbenzoate
CID 177440161
bis(2,4-dihydroxy-6-methylphenyl)methanone
CID 23364960
[6-[6-[(2,4-dihydroxy-6-methylbenzoyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2,4-dihydroxy-6-methylbenzoate
CID 56663793
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 2,4-dihydroxy-6-methylbenzoate
CID 127041073
[4-[(3-acetyloxy-2-hydroxypropoxy)methyl]-3-hydroxy-5-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate
CID 139587057
ethyl 2-hydroxy-4,6-dimethylbenzoate;ethyl 2,4,6-trimethylbenzoate
CID 159167019
2,3-dihydroxypropyl 2-amino-3-methylbenzoate
CID 82850226
2,3-dihydroxypropyl 4-(4-methylphenyl)benzoate
CID 71010789
[3-hydroxy-4-(3-hydroxy-4-methoxycarbonyl-5-methylphenoxy)carbonyl-5-methylphenyl] 2,4-dihydroxy-6-methylbenzoate
CID 10096758
2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate
CID 19856989

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).