2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid

C14H16O3 — CID 5320784

IUPAC2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid
SMILESCc1cc2c(c(C)c1CC(=O)O)C(=O)C(C)C2
InChIInChI=1S/C14H16O3/c1-7-4-10-5-8(2)14(17)13(10)9(3)11(7)6-12(15)16/h4,8H,5-6H2,1-3H3,(H,15,16)
InChIKeyUYEZJDNVWNIIKS-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.31
Rot. Bonds2

About 2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid

2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid (PubChem CID 5320784) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid
PubChem CID5320784
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid
SMILESCc1cc2c(c(C)c1CC(=O)O)C(=O)C(C)C2
InChIInChI=1S/C14H16O3/c1-7-4-10-5-8(2)14(17)13(10)9(3)11(7)6-12(15)16/h4,8H,5-6H2,1-3H3,(H,15,16)
InChIKeyUYEZJDNVWNIIKS-UHFFFAOYSA-N
XLogP2.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid?
The IUPAC name of 2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid (CID 5320784) is 2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid.
What is the SMILES notation for 2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid?
The canonical SMILES for 2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid is Cc1cc2c(c(C)c1CC(=O)O)C(=O)C(C)C2.
What is the InChIKey of 2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid?
The InChIKey is UYEZJDNVWNIIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-7-4-10-5-8(2)14(17)13(10)9(3)11(7)6-12(15)16/h4,8H,5-6H2,1-3H3,(H,15,16).
What are the key properties of 2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid?
2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid has a molecular weight of 232.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid is sourced from PubChem (CID 5320784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).