butanedioic acid;2-hydroxypropanoic acid;terephthalic acid

C15H18O11 — CID 174890321

IUPACbutanedioic acid;2-hydroxypropanoic acid;terephthalic acid
SMILESCC(O)C(=O)O.O=C(O)CCC(=O)O.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.C4H6O4.C3H6O3/c9-7(10)5-1-2-6(4-3-5)8(11)12;5-3(6)1-2-4(7)8;1-2(4)3(5)6/h1-4H,(H,9,10)(H,11,12);1-2H2,(H,5,6)(H,7,8);2,4H,1H3,(H,5,6)
InChIKeyAREJGKXODONROY-UHFFFAOYSA-N
MW374.30 g/mol
LogP0.47
Rot. Bonds6

About butanedioic acid;2-hydroxypropanoic acid;terephthalic acid

butanedioic acid;2-hydroxypropanoic acid;terephthalic acid (PubChem CID 174890321) has the molecular formula C15H18O11 and a molecular weight of 374.30 g/mol. Its IUPAC name is butanedioic acid;2-hydroxypropanoic acid;terephthalic acid.

Molecular Properties

Compound Namebutanedioic acid;2-hydroxypropanoic acid;terephthalic acid
PubChem CID174890321
Molecular FormulaC15H18O11
Molecular Weight374.30 g/mol
Exact Mass374.08
IUPAC Namebutanedioic acid;2-hydroxypropanoic acid;terephthalic acid
SMILESCC(O)C(=O)O.O=C(O)CCC(=O)O.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.C4H6O4.C3H6O3/c9-7(10)5-1-2-6(4-3-5)8(11)12;5-3(6)1-2-4(7)8;1-2(4)3(5)6/h1-4H,(H,9,10)(H,11,12);1-2H2,(H,5,6)(H,7,8);2,4H,1H3,(H,5,6)
InChIKeyAREJGKXODONROY-UHFFFAOYSA-N
XLogP0.47
TPSA206.73 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.30
LogP ≤ 50.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

ethane-1,1-diol;terephthalic acid
CID 68971815
butanedioic acid;propane-1,3-diol;terephthalic acid
CID 163992644
tris(propane-1,2-diol);terephthalic acid
CID 70477156
propanoic acid;terephthalic acid
CID 158352815
1-(1-hydroxyethylamino)ethanol;terephthalic acid
CID 175260616
terephthalic acid
CID 160582437
benzoic acid;bis(5-methylhexanoic acid)
CID 68983380
acetic acid;terephthalic acid
CID 158530154
4-tert-butylbenzoic acid;2-hydroxybutanedioic acid
CID 67739963
butanedioic acid;butane-1,1-diol;2-hydroxypropanoic acid
CID 175297548
4-(3-carboxypropanoyloxy)benzoic acid
CID 71361124
pentane-2,4-diol;bis(4-propan-2-ylbenzoic acid)
CID 66727844

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;2-hydroxypropanoic acid;terephthalic acid?
The IUPAC name of butanedioic acid;2-hydroxypropanoic acid;terephthalic acid (CID 174890321) is butanedioic acid;2-hydroxypropanoic acid;terephthalic acid.
What is the SMILES notation for butanedioic acid;2-hydroxypropanoic acid;terephthalic acid?
The canonical SMILES for butanedioic acid;2-hydroxypropanoic acid;terephthalic acid is CC(O)C(=O)O.O=C(O)CCC(=O)O.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of butanedioic acid;2-hydroxypropanoic acid;terephthalic acid?
The InChIKey is AREJGKXODONROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C4H6O4.C3H6O3/c9-7(10)5-1-2-6(4-3-5)8(11)12;5-3(6)1-2-4(7)8;1-2(4)3(5)6/h1-4H,(H,9,10)(H,11,12);1-2H2,(H,5,6)(H,7,8);2,4H,1H3,(H,5,6).
What are the key properties of butanedioic acid;2-hydroxypropanoic acid;terephthalic acid?
butanedioic acid;2-hydroxypropanoic acid;terephthalic acid has a molecular weight of 374.30 g/mol, XLogP of 0.47, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;2-hydroxypropanoic acid;terephthalic acid is sourced from PubChem (CID 174890321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).