1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid

C17H15ClO2 — CID 65409313

IUPAC1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(Cl)cc2)CCc2ccccc21
InChIInChI=1S/C17H15ClO2/c18-14-7-5-12(6-8-14)11-17(16(19)20)10-9-13-3-1-2-4-15(13)17/h1-8H,9-11H2,(H,19,20)
InChIKeyJWGZDYCWEZAHRK-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.85
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid

1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid (PubChem CID 65409313) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid
PubChem CID65409313
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(Cl)cc2)CCc2ccccc21
InChIInChI=1S/C17H15ClO2/c18-14-7-5-12(6-8-14)11-17(16(19)20)10-9-13-3-1-2-4-15(13)17/h1-8H,9-11H2,(H,19,20)
InChIKeyJWGZDYCWEZAHRK-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid (CID 65409313) is 1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid is O=C(O)C1(Cc2ccc(Cl)cc2)CCc2ccccc21.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is JWGZDYCWEZAHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c18-14-7-5-12(6-8-14)11-17(16(19)20)10-9-13-3-1-2-4-15(13)17/h1-8H,9-11H2,(H,19,20).
What are the key properties of 1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid?
1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 286.76 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 65409313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).