2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid

C14H18O2 — CID 137443462

IUPAC2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid
SMILESCC(C)c1ccc2c(c1CC(=O)O)CCC2
InChIInChI=1S/C14H18O2/c1-9(2)11-7-6-10-4-3-5-12(10)13(11)8-14(15)16/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyVQRWPGJAVBRUGA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.93
Rot. Bonds3

About 2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid

2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid (PubChem CID 137443462) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid
PubChem CID137443462
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid
SMILESCC(C)c1ccc2c(c1CC(=O)O)CCC2
InChIInChI=1S/C14H18O2/c1-9(2)11-7-6-10-4-3-5-12(10)13(11)8-14(15)16/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyVQRWPGJAVBRUGA-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid?
The IUPAC name of 2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid (CID 137443462) is 2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid.
What is the SMILES notation for 2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid?
The canonical SMILES for 2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid is CC(C)c1ccc2c(c1CC(=O)O)CCC2.
What is the InChIKey of 2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid?
The InChIKey is VQRWPGJAVBRUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9(2)11-7-6-10-4-3-5-12(10)13(11)8-14(15)16/h6-7,9H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid?
2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid has a molecular weight of 218.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid is sourced from PubChem (CID 137443462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).