2-(2-hydroxypropan-2-yl)terephthalic acid

C11H12O5 — CID 23192267

IUPAC2-(2-hydroxypropan-2-yl)terephthalic acid
SMILESCC(C)(O)c1cc(C(=O)O)ccc1C(=O)O
InChIInChI=1S/C11H12O5/c1-11(2,16)8-5-6(9(12)13)3-4-7(8)10(14)15/h3-5,16H,1-2H3,(H,12,13)(H,14,15)
InChIKeyAZNYZQTWEVPMPC-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.31
Rot. Bonds3

About 2-(2-hydroxypropan-2-yl)terephthalic acid

2-(2-hydroxypropan-2-yl)terephthalic acid (PubChem CID 23192267) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)terephthalic acid.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)terephthalic acid
PubChem CID23192267
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-(2-hydroxypropan-2-yl)terephthalic acid
SMILESCC(C)(O)c1cc(C(=O)O)ccc1C(=O)O
InChIInChI=1S/C11H12O5/c1-11(2,16)8-5-6(9(12)13)3-4-7(8)10(14)15/h3-5,16H,1-2H3,(H,12,13)(H,14,15)
InChIKeyAZNYZQTWEVPMPC-UHFFFAOYSA-N
XLogP1.31
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxypropan-2-yl)-4-methylbenzoic acid
CID 83384782
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
2-(dihydroxymethyl)terephthalic acid
CID 5246334
2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid
CID 56991164
benzene-1,2,4-tricarboxylic acid;bis(ethane-1,2-diol)
CID 19102454
tris(2-aminoterephthalic acid);iron
CID 146020005
2-bromoterephthalic acid;dihydrochloride
CID 175123722
4-[2-[4-carboxy-2-(trifluoromethyl)phenyl]propan-2-yl]-3-(trifluoromethyl)benzoic acid
CID 139971015
3-amino-4-tert-butylbenzoic acid;hydrochloride
CID 119099217
2-(1-tert-butylcyclopropyl)terephthalic acid
CID 67914061
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
sodium;hydride;2-sulfoterephthalic acid
CID 173004511

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)terephthalic acid?
The IUPAC name of 2-(2-hydroxypropan-2-yl)terephthalic acid (CID 23192267) is 2-(2-hydroxypropan-2-yl)terephthalic acid.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)terephthalic acid?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)terephthalic acid is CC(C)(O)c1cc(C(=O)O)ccc1C(=O)O.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)terephthalic acid?
The InChIKey is AZNYZQTWEVPMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-11(2,16)8-5-6(9(12)13)3-4-7(8)10(14)15/h3-5,16H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2-hydroxypropan-2-yl)terephthalic acid?
2-(2-hydroxypropan-2-yl)terephthalic acid has a molecular weight of 224.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)terephthalic acid is sourced from PubChem (CID 23192267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).