2-(2-methyl-1H-inden-1-yl)acetic acid

C12H12O2 — CID 150876820

IUPAC2-(2-methyl-1H-inden-1-yl)acetic acid
SMILESCC1=Cc2ccccc2C1CC(=O)O
InChIInChI=1S/C12H12O2/c1-8-6-9-4-2-3-5-10(9)11(8)7-12(13)14/h2-6,11H,7H2,1H3,(H,13,14)
InChIKeyKVEBXACLRYVSDA-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.66
Rot. Bonds2

About 2-(2-methyl-1H-inden-1-yl)acetic acid

2-(2-methyl-1H-inden-1-yl)acetic acid (PubChem CID 150876820) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(2-methyl-1H-inden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-1H-inden-1-yl)acetic acid
PubChem CID150876820
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-(2-methyl-1H-inden-1-yl)acetic acid
SMILESCC1=Cc2ccccc2C1CC(=O)O
InChIInChI=1S/C12H12O2/c1-8-6-9-4-2-3-5-10(9)11(8)7-12(13)14/h2-6,11H,7H2,1H3,(H,13,14)
InChIKeyKVEBXACLRYVSDA-UHFFFAOYSA-N
XLogP2.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-inden-1-yl)acetic acid?
The IUPAC name of 2-(2-methyl-1H-inden-1-yl)acetic acid (CID 150876820) is 2-(2-methyl-1H-inden-1-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-1H-inden-1-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-1H-inden-1-yl)acetic acid is CC1=Cc2ccccc2C1CC(=O)O.
What is the InChIKey of 2-(2-methyl-1H-inden-1-yl)acetic acid?
The InChIKey is KVEBXACLRYVSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-8-6-9-4-2-3-5-10(9)11(8)7-12(13)14/h2-6,11H,7H2,1H3,(H,13,14).
What are the key properties of 2-(2-methyl-1H-inden-1-yl)acetic acid?
2-(2-methyl-1H-inden-1-yl)acetic acid has a molecular weight of 188.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-inden-1-yl)acetic acid is sourced from PubChem (CID 150876820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).