2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol

C16H28O9 — CID 66883017

IUPAC2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol
SMILESCC(O)COC(C)CO.O=C(O)c1ccccc1O.OCC(O)CO
InChIInChI=1S/C7H6O3.C6H14O3.C3H8O3/c8-6-4-2-1-3-5(6)7(9)10;1-5(8)4-9-6(2)3-7;4-1-3(6)2-5/h1-4,8H,(H,9,10);5-8H,3-4H2,1-2H3;3-6H,1-2H2
InChIKeyILHWRIZGFKHJJO-UHFFFAOYSA-N
MW364.39 g/mol
LogP-0.81
Rot. Bonds7

About 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol

2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol (PubChem CID 66883017) has the molecular formula C16H28O9 and a molecular weight of 364.39 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol.

Molecular Properties

Compound Name2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol
PubChem CID66883017
Molecular FormulaC16H28O9
Molecular Weight364.39 g/mol
Exact Mass364.17
IUPAC Name2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol
SMILESCC(O)COC(C)CO.O=C(O)c1ccccc1O.OCC(O)CO
InChIInChI=1S/C7H6O3.C6H14O3.C3H8O3/c8-6-4-2-1-3-5(6)7(9)10;1-5(8)4-9-6(2)3-7;4-1-3(6)2-5/h1-4,8H,(H,9,10);5-8H,3-4H2,1-2H3;3-6H,1-2H2
InChIKeyILHWRIZGFKHJJO-UHFFFAOYSA-N
XLogP-0.81
TPSA167.91 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.39
LogP ≤ 5-0.81
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Related Compounds

2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 57351297
benzoic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 67710073
benzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2-diol
CID 174975756
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid
CID 159288501
benzoic acid;2-(2-hydroxypropoxy)propan-1-ol;pyridine
CID 70248753
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CID 159574969
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
3-[2-(2-hydroxypropoxy)propyl]phthalic acid
CID 139699680
2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)
CID 57347913
butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 175203515
acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate
CID 160726973
but-2-enedioic acid;phthalic acid;propane-1,2,3-triol
CID 157314399

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol?
The IUPAC name of 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol (CID 66883017) is 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol.
What is the SMILES notation for 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol?
The canonical SMILES for 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol is CC(O)COC(C)CO.O=C(O)c1ccccc1O.OCC(O)CO.
What is the InChIKey of 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol?
The InChIKey is ILHWRIZGFKHJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C6H14O3.C3H8O3/c8-6-4-2-1-3-5(6)7(9)10;1-5(8)4-9-6(2)3-7;4-1-3(6)2-5/h1-4,8H,(H,9,10);5-8H,3-4H2,1-2H3;3-6H,1-2H2.
What are the key properties of 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol?
2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol has a molecular weight of 364.39 g/mol, XLogP of -0.81, 7 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol is sourced from PubChem (CID 66883017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).