2-(6-fluoro-1-hydroxy-4-methyl-2,3-dihydroinden-1-yl)acetic acid

C12H13FO3 — CID 11085436

IUPAC2-(6-fluoro-1-hydroxy-4-methyl-2,3-dihydroinden-1-yl)acetic acid
SMILESCc1cc(F)cc2c1CCC2(O)CC(=O)O
InChIInChI=1S/C12H13FO3/c1-7-4-8(13)5-10-9(7)2-3-12(10,16)6-11(14)15/h4-5,16H,2-3,6H2,1H3,(H,14,15)
InChIKeyWQEORVUFCNVXTK-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.74
Rot. Bonds2

About 2-(6-fluoro-1-hydroxy-4-methyl-2,3-dihydroinden-1-yl)acetic acid

2-(6-fluoro-1-hydroxy-4-methyl-2,3-dihydroinden-1-yl)acetic acid (PubChem CID 11085436) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-(6-fluoro-1-hydroxy-4-methyl-2,3-dihydroinden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-fluoro-1-hydroxy-4-methyl-2,3-dihydroinden-1-yl)acetic acid
PubChem CID11085436
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name2-(6-fluoro-1-hydroxy-4-methyl-2,3-dihydroinden-1-yl)acetic acid
SMILESCc1cc(F)cc2c1CCC2(O)CC(=O)O
InChIInChI=1S/C12H13FO3/c1-7-4-8(13)5-10-9(7)2-3-12(10,16)6-11(14)15/h4-5,16H,2-3,6H2,1H3,(H,14,15)
InChIKeyWQEORVUFCNVXTK-UHFFFAOYSA-N
XLogP1.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-hydroxy-4-methyl-2,3-dihydroinden-1-yl)acetic acid?
The IUPAC name of 2-(6-fluoro-1-hydroxy-4-methyl-2,3-dihydroinden-1-yl)acetic acid (CID 11085436) is 2-(6-fluoro-1-hydroxy-4-methyl-2,3-dihydroinden-1-yl)acetic acid.
What is the SMILES notation for 2-(6-fluoro-1-hydroxy-4-methyl-2,3-dihydroinden-1-yl)acetic acid?
The canonical SMILES for 2-(6-fluoro-1-hydroxy-4-methyl-2,3-dihydroinden-1-yl)acetic acid is Cc1cc(F)cc2c1CCC2(O)CC(=O)O.
What is the InChIKey of 2-(6-fluoro-1-hydroxy-4-methyl-2,3-dihydroinden-1-yl)acetic acid?
The InChIKey is WQEORVUFCNVXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-7-4-8(13)5-10-9(7)2-3-12(10,16)6-11(14)15/h4-5,16H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 2-(6-fluoro-1-hydroxy-4-methyl-2,3-dihydroinden-1-yl)acetic acid?
2-(6-fluoro-1-hydroxy-4-methyl-2,3-dihydroinden-1-yl)acetic acid has a molecular weight of 224.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-hydroxy-4-methyl-2,3-dihydroinden-1-yl)acetic acid is sourced from PubChem (CID 11085436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).