2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid

C12H14O2 — CID 117281877

IUPAC2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid
SMILESCc1ccc(CC(=O)O)c2c1CCC2
InChIInChI=1S/C12H14O2/c1-8-5-6-9(7-12(13)14)11-4-2-3-10(8)11/h5-6H,2-4,7H2,1H3,(H,13,14)
InChIKeyFCSLIGWMNDFHJZ-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.11
Rot. Bonds2

About 2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid

2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid (PubChem CID 117281877) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid
PubChem CID117281877
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid
SMILESCc1ccc(CC(=O)O)c2c1CCC2
InChIInChI=1S/C12H14O2/c1-8-5-6-9(7-12(13)14)11-4-2-3-10(8)11/h5-6H,2-4,7H2,1H3,(H,13,14)
InChIKeyFCSLIGWMNDFHJZ-UHFFFAOYSA-N
XLogP2.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid?
The IUPAC name of 2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid (CID 117281877) is 2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid.
What is the SMILES notation for 2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid?
The canonical SMILES for 2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid is Cc1ccc(CC(=O)O)c2c1CCC2.
What is the InChIKey of 2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid?
The InChIKey is FCSLIGWMNDFHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-5-6-9(7-12(13)14)11-4-2-3-10(8)11/h5-6H,2-4,7H2,1H3,(H,13,14).
What are the key properties of 2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid?
2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid has a molecular weight of 190.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid is sourced from PubChem (CID 117281877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).