4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid

C17H14O4 — CID 66647245

IUPAC4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccccc1-c1c(C(=O)O)ccc2c1CCC2
InChIInChI=1S/C17H14O4/c18-16(19)13-6-2-1-5-12(13)15-11-7-3-4-10(11)8-9-14(15)17(20)21/h1-2,5-6,8-9H,3-4,7H2,(H,18,19)(H,20,21)
InChIKeyXTWRTQDXYMVIEQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.24
Rot. Bonds3

About 4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid

4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 66647245) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID66647245
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccccc1-c1c(C(=O)O)ccc2c1CCC2
InChIInChI=1S/C17H14O4/c18-16(19)13-6-2-1-5-12(13)15-11-7-3-4-10(11)8-9-14(15)17(20)21/h1-2,5-6,8-9H,3-4,7H2,(H,18,19)(H,20,21)
InChIKeyXTWRTQDXYMVIEQ-UHFFFAOYSA-N
XLogP3.24
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 101121393
2,3-dihydro-1H-indene-4,5-dicarboxylic acid
CID 22035348
2-(2-carboxyphenyl)-3,4-dimethylbenzoic acid
CID 18692681
5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid
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2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 22993784
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127914
2-(4-methoxy-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)benzoic acid
CID 86021263
2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid
CID 69347798
phthalic acid;1,2,3,4-tetrahydrochrysene
CID 174257293
2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid
CID 70407654

Frequently Asked Questions

What is the IUPAC name of 4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid (CID 66647245) is 4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(O)c1ccccc1-c1c(C(=O)O)ccc2c1CCC2.
What is the InChIKey of 4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is XTWRTQDXYMVIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-16(19)13-6-2-1-5-12(13)15-11-7-3-4-10(11)8-9-14(15)17(20)21/h1-2,5-6,8-9H,3-4,7H2,(H,18,19)(H,20,21).
What are the key properties of 4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid?
4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 66647245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).