2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol

C13H20O6 — CID 57351297

IUPAC2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol
SMILESCC(O)COC(C)CO.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C6H14O3/c8-6-4-2-1-3-5(6)7(9)10;1-5(8)4-9-6(2)3-7/h1-4,8H,(H,9,10);5-8H,3-4H2,1-2H3
InChIKeyLABCWKLLHYSGJX-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.86
Rot. Bonds5

About 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol

2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol (PubChem CID 57351297) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol.

Molecular Properties

Compound Name2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol
PubChem CID57351297
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol
SMILESCC(O)COC(C)CO.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C6H14O3/c8-6-4-2-1-3-5(6)7(9)10;1-5(8)4-9-6(2)3-7/h1-4,8H,(H,9,10);5-8H,3-4H2,1-2H3
InChIKeyLABCWKLLHYSGJX-UHFFFAOYSA-N
XLogP0.86
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2,3-triol
CID 66883017
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
2-hydroxybenzoic acid;3-hydroxybutanoic acid
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
ethanol;ethoxyethane;2-hydroxybenzoic acid
CID 69130253

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol?
The IUPAC name of 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol (CID 57351297) is 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol.
What is the SMILES notation for 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol?
The canonical SMILES for 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol is CC(O)COC(C)CO.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol?
The InChIKey is LABCWKLLHYSGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C6H14O3/c8-6-4-2-1-3-5(6)7(9)10;1-5(8)4-9-6(2)3-7/h1-4,8H,(H,9,10);5-8H,3-4H2,1-2H3.
What are the key properties of 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol?
2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol has a molecular weight of 272.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol is sourced from PubChem (CID 57351297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).