2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)acetic acid

C13H16O2 — CID 12627894

IUPAC2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)acetic acid
SMILESCCC1Cc2ccc(CC(=O)O)cc2C1
InChIInChI=1S/C13H16O2/c1-2-9-5-11-4-3-10(8-13(14)15)7-12(11)6-9/h3-4,7,9H,2,5-6,8H2,1H3,(H,14,15)
InChIKeyMMTOBOVIEKOZHS-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.44
Rot. Bonds3

About 2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)acetic acid

2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)acetic acid (PubChem CID 12627894) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)acetic acid
PubChem CID12627894
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)acetic acid
SMILESCCC1Cc2ccc(CC(=O)O)cc2C1
InChIInChI=1S/C13H16O2/c1-2-9-5-11-4-3-10(8-13(14)15)7-12(11)6-9/h3-4,7,9H,2,5-6,8H2,1H3,(H,14,15)
InChIKeyMMTOBOVIEKOZHS-UHFFFAOYSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)acetic acid (CID 12627894) is 2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)acetic acid is CCC1Cc2ccc(CC(=O)O)cc2C1.
What is the InChIKey of 2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)acetic acid?
The InChIKey is MMTOBOVIEKOZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-9-5-11-4-3-10(8-13(14)15)7-12(11)6-9/h3-4,7,9H,2,5-6,8H2,1H3,(H,14,15).
What are the key properties of 2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)acetic acid?
2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)acetic acid has a molecular weight of 204.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)acetic acid is sourced from PubChem (CID 12627894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).