(1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid

C22H18O2 — CID 70130242

IUPAC(1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESO=C(O)C1[C@@H](c2ccccc2)c2ccccc2[C@@H]1c1ccccc1
InChIInChI=1S/C22H18O2/c23-22(24)21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(21)16-11-5-2-6-12-16/h1-14,19-21H,(H,23,24)/t19-,20-/m0/s1
InChIKeyXEURUJDIFBUEKG-PMACEKPBSA-N
MW314.38 g/mol
LogP4.66
Rot. Bonds3

About (1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid

(1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 70130242) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is (1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name(1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID70130242
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name(1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESO=C(O)C1[C@@H](c2ccccc2)c2ccccc2[C@@H]1c1ccccc1
InChIInChI=1S/C22H18O2/c23-22(24)21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(21)16-11-5-2-6-12-16/h1-14,19-21H,(H,23,24)/t19-,20-/m0/s1
InChIKeyXEURUJDIFBUEKG-PMACEKPBSA-N
XLogP4.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of (1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid (CID 70130242) is (1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for (1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for (1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid is O=C(O)C1[C@@H](c2ccccc2)c2ccccc2[C@@H]1c1ccccc1.
What is the InChIKey of (1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is XEURUJDIFBUEKG-PMACEKPBSA-N. The full InChI is InChI=1S/C22H18O2/c23-22(24)21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(21)16-11-5-2-6-12-16/h1-14,19-21H,(H,23,24)/t19-,20-/m0/s1.
What are the key properties of (1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid?
(1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 314.38 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 70130242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).