1-benzyl-2,3-dihydroindene-1-carboxylic acid

C17H16O2 — CID 65407003

IUPAC1-benzyl-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2)CCc2ccccc21
InChIInChI=1S/C17H16O2/c18-16(19)17(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-15(14)17/h1-9H,10-12H2,(H,18,19)
InChIKeyDVUFWAJSVZUQTP-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.20
Rot. Bonds3

About 1-benzyl-2,3-dihydroindene-1-carboxylic acid

1-benzyl-2,3-dihydroindene-1-carboxylic acid (PubChem CID 65407003) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-benzyl-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-2,3-dihydroindene-1-carboxylic acid
PubChem CID65407003
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-benzyl-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2)CCc2ccccc21
InChIInChI=1S/C17H16O2/c18-16(19)17(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-15(14)17/h1-9H,10-12H2,(H,18,19)
InChIKeyDVUFWAJSVZUQTP-UHFFFAOYSA-N
XLogP3.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Fluorene-9-acetic acid
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-benzyl-2,3-dihydroindene-1-carboxylic acid (CID 65407003) is 1-benzyl-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-benzyl-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-benzyl-2,3-dihydroindene-1-carboxylic acid is O=C(O)C1(Cc2ccccc2)CCc2ccccc21.
What is the InChIKey of 1-benzyl-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is DVUFWAJSVZUQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-16(19)17(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-15(14)17/h1-9H,10-12H2,(H,18,19).
What are the key properties of 1-benzyl-2,3-dihydroindene-1-carboxylic acid?
1-benzyl-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 65407003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).