2-(2-phenyl-2,3-dihydro-1H-inden-5-yl)propanoic acid

C18H18O2 — CID 3042691

IUPAC2-(2-phenyl-2,3-dihydro-1H-inden-5-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)CC(c1ccccc1)C2
InChIInChI=1S/C18H18O2/c1-12(18(19)20)14-7-8-15-10-16(11-17(15)9-14)13-5-3-2-4-6-13/h2-9,12,16H,10-11H2,1H3,(H,19,20)
InChIKeyDWNUMPHHRWTUML-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.76
Rot. Bonds3

About 2-(2-phenyl-2,3-dihydro-1H-inden-5-yl)propanoic acid

2-(2-phenyl-2,3-dihydro-1H-inden-5-yl)propanoic acid (PubChem CID 3042691) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2-phenyl-2,3-dihydro-1H-inden-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-phenyl-2,3-dihydro-1H-inden-5-yl)propanoic acid
PubChem CID3042691
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-(2-phenyl-2,3-dihydro-1H-inden-5-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)CC(c1ccccc1)C2
InChIInChI=1S/C18H18O2/c1-12(18(19)20)14-7-8-15-10-16(11-17(15)9-14)13-5-3-2-4-6-13/h2-9,12,16H,10-11H2,1H3,(H,19,20)
InChIKeyDWNUMPHHRWTUML-UHFFFAOYSA-N
XLogP3.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-2,3-dihydro-1H-inden-5-yl)propanoic acid?
The IUPAC name of 2-(2-phenyl-2,3-dihydro-1H-inden-5-yl)propanoic acid (CID 3042691) is 2-(2-phenyl-2,3-dihydro-1H-inden-5-yl)propanoic acid.
What is the SMILES notation for 2-(2-phenyl-2,3-dihydro-1H-inden-5-yl)propanoic acid?
The canonical SMILES for 2-(2-phenyl-2,3-dihydro-1H-inden-5-yl)propanoic acid is CC(C(=O)O)c1ccc2c(c1)CC(c1ccccc1)C2.
What is the InChIKey of 2-(2-phenyl-2,3-dihydro-1H-inden-5-yl)propanoic acid?
The InChIKey is DWNUMPHHRWTUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-12(18(19)20)14-7-8-15-10-16(11-17(15)9-14)13-5-3-2-4-6-13/h2-9,12,16H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-(2-phenyl-2,3-dihydro-1H-inden-5-yl)propanoic acid?
2-(2-phenyl-2,3-dihydro-1H-inden-5-yl)propanoic acid has a molecular weight of 266.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-2,3-dihydro-1H-inden-5-yl)propanoic acid is sourced from PubChem (CID 3042691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).