2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid

C19H16O8 — CID 69347798

IUPAC2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c2c1CCC2.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H10O4.C8H6O4/c12-10(13)8-4-5-9(11(14)15)7-3-1-2-6(7)8;9-7(10)5-1-2-6(4-3-5)8(11)12/h4-5H,1-3H2,(H,12,13)(H,14,15);1-4H,(H,9,10)(H,11,12)
InChIKeyQHELRGHLWUJOND-UHFFFAOYSA-N
MW372.33 g/mol
LogP2.65
Rot. Bonds4

About 2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid

2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid (PubChem CID 69347798) has the molecular formula C19H16O8 and a molecular weight of 372.33 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid
PubChem CID69347798
Molecular FormulaC19H16O8
Molecular Weight372.33 g/mol
Exact Mass372.08
IUPAC Name2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c2c1CCC2.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H10O4.C8H6O4/c12-10(13)8-4-5-9(11(14)15)7-3-1-2-6(7)8;9-7(10)5-1-2-6(4-3-5)8(11)12/h4-5H,1-3H2,(H,12,13)(H,14,15);1-4H,(H,9,10)(H,11,12)
InChIKeyQHELRGHLWUJOND-UHFFFAOYSA-N
XLogP2.65
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-carboxyphenoxy)-5,6,7,8,9,10-hexahydrobenzo[8]annulene-1-carboxylic acid
CID 66748674
4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 22261528
terephthalic acid
CID 160582437
4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 130282207
2,3-dihydro-1H-indene-4,5-dicarboxylic acid
CID 22035348
piperidine-2,6-dione;terephthalic acid
CID 175551012
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid
CID 10397638
1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid
CID 58753408
potassium;terephthalic acid;hydroxide
CID 157415014

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid?
The IUPAC name of 2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid (CID 69347798) is 2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid.
What is the SMILES notation for 2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid?
The canonical SMILES for 2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid is O=C(O)c1ccc(C(=O)O)c2c1CCC2.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid?
The InChIKey is QHELRGHLWUJOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4.C8H6O4/c12-10(13)8-4-5-9(11(14)15)7-3-1-2-6(7)8;9-7(10)5-1-2-6(4-3-5)8(11)12/h4-5H,1-3H2,(H,12,13)(H,14,15);1-4H,(H,9,10)(H,11,12).
What are the key properties of 2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid?
2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid has a molecular weight of 372.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid is sourced from PubChem (CID 69347798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).