1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid

C20H20O2 — CID 158073551

IUPAC1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid
SMILESCC(C)c1cccc2c1C(Cc1ccccc1)C(C(=O)O)=C2
InChIInChI=1S/C20H20O2/c1-13(2)16-10-6-9-15-12-18(20(21)22)17(19(15)16)11-14-7-4-3-5-8-14/h3-10,12-13,17H,11H2,1-2H3,(H,21,22)
InChIKeyGNQOZMAAMZEYOA-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.62
Rot. Bonds4

About 1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid

1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid (PubChem CID 158073551) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid
PubChem CID158073551
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid
SMILESCC(C)c1cccc2c1C(Cc1ccccc1)C(C(=O)O)=C2
InChIInChI=1S/C20H20O2/c1-13(2)16-10-6-9-15-12-18(20(21)22)17(19(15)16)11-14-7-4-3-5-8-14/h3-10,12-13,17H,11H2,1-2H3,(H,21,22)
InChIKeyGNQOZMAAMZEYOA-UHFFFAOYSA-N
XLogP4.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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methyl 3-(4-benzylpiperidin-1-yl)propanoate
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid?
The IUPAC name of 1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid (CID 158073551) is 1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid.
What is the SMILES notation for 1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid?
The canonical SMILES for 1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid is CC(C)c1cccc2c1C(Cc1ccccc1)C(C(=O)O)=C2.
What is the InChIKey of 1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid?
The InChIKey is GNQOZMAAMZEYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-13(2)16-10-6-9-15-12-18(20(21)22)17(19(15)16)11-14-7-4-3-5-8-14/h3-10,12-13,17H,11H2,1-2H3,(H,21,22).
What are the key properties of 1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid?
1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid is sourced from PubChem (CID 158073551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).