2-(7-methyl-1H-inden-1-yl)acetic acid

C12H12O2 — CID 82158091

IUPAC2-(7-methyl-1H-inden-1-yl)acetic acid
SMILESCc1cccc2c1C(CC(=O)O)C=C2
InChIInChI=1S/C12H12O2/c1-8-3-2-4-9-5-6-10(12(8)9)7-11(13)14/h2-6,10H,7H2,1H3,(H,13,14)
InChIKeyCSRFRGOFBAKSNY-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.58
Rot. Bonds2

About 2-(7-methyl-1H-inden-1-yl)acetic acid

2-(7-methyl-1H-inden-1-yl)acetic acid (PubChem CID 82158091) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(7-methyl-1H-inden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methyl-1H-inden-1-yl)acetic acid
PubChem CID82158091
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-(7-methyl-1H-inden-1-yl)acetic acid
SMILESCc1cccc2c1C(CC(=O)O)C=C2
InChIInChI=1S/C12H12O2/c1-8-3-2-4-9-5-6-10(12(8)9)7-11(13)14/h2-6,10H,7H2,1H3,(H,13,14)
InChIKeyCSRFRGOFBAKSNY-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1H-inden-1-yl)acetic acid?
The IUPAC name of 2-(7-methyl-1H-inden-1-yl)acetic acid (CID 82158091) is 2-(7-methyl-1H-inden-1-yl)acetic acid.
What is the SMILES notation for 2-(7-methyl-1H-inden-1-yl)acetic acid?
The canonical SMILES for 2-(7-methyl-1H-inden-1-yl)acetic acid is Cc1cccc2c1C(CC(=O)O)C=C2.
What is the InChIKey of 2-(7-methyl-1H-inden-1-yl)acetic acid?
The InChIKey is CSRFRGOFBAKSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-8-3-2-4-9-5-6-10(12(8)9)7-11(13)14/h2-6,10H,7H2,1H3,(H,13,14).
What are the key properties of 2-(7-methyl-1H-inden-1-yl)acetic acid?
2-(7-methyl-1H-inden-1-yl)acetic acid has a molecular weight of 188.23 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1H-inden-1-yl)acetic acid is sourced from PubChem (CID 82158091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).