2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid

C17H26O8 — CID 159288501

IUPAC2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid
SMILESCC(O)COC(C)COC(C)CO.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H20O4.C8H6O4/c1-7(11)5-12-9(3)6-13-8(2)4-10;9-7(10)5-1-2-6(4-3-5)8(11)12/h7-11H,4-6H2,1-3H3;1-4H,(H,9,10)(H,11,12)
InChIKeyKZUUSUPZVYQDKF-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.25
Rot. Bonds9

About 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid (PubChem CID 159288501) has the molecular formula C17H26O8 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid
PubChem CID159288501
Molecular FormulaC17H26O8
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid
SMILESCC(O)COC(C)COC(C)CO.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H20O4.C8H6O4/c1-7(11)5-12-9(3)6-13-8(2)4-10;9-7(10)5-1-2-6(4-3-5)8(11)12/h7-11H,4-6H2,1-3H3;1-4H,(H,9,10)(H,11,12)
InChIKeyKZUUSUPZVYQDKF-UHFFFAOYSA-N
XLogP1.25
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

benzoic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 67710073
benzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2-diol
CID 174975756
benzoic acid;2-(2-hydroxypropoxy)propan-1-ol;pyridine
CID 70248753
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 175203515
tris(propane-1,2-diol);terephthalic acid
CID 70477156
2-hydroxybenzoic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 57351297
2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid
CID 87252519
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 175051763
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;tris(3-sulfanylbutanoic acid)
CID 162141314

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid?
The IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid (CID 159288501) is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid.
What is the SMILES notation for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid?
The canonical SMILES for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid is CC(O)COC(C)COC(C)CO.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid?
The InChIKey is KZUUSUPZVYQDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4.C8H6O4/c1-7(11)5-12-9(3)6-13-8(2)4-10;9-7(10)5-1-2-6(4-3-5)8(11)12/h7-11H,4-6H2,1-3H3;1-4H,(H,9,10)(H,11,12).
What are the key properties of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid?
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid has a molecular weight of 358.39 g/mol, XLogP of 1.25, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid is sourced from PubChem (CID 159288501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).