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

C14H17FO3 — CID 139703524

IUPAC2-(6-fluoro-1-hydroxy-3-propyl-2,3-dihydroinden-1-yl)acetic acid
SMILESCCCC1CC(O)(CC(=O)O)c2cc(F)ccc21
InChIInChI=1S/C14H17FO3/c1-2-3-9-7-14(18,8-13(16)17)12-6-10(15)4-5-11(9)12/h4-6,9,18H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyFHIHURATWWAJQM-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.78
Rot. Bonds4

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

2-(6-fluoro-1-hydroxy-3-propyl-2,3-dihydroinden-1-yl)acetic acid (PubChem CID 139703524) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(6-fluoro-1-hydroxy-3-propyl-2,3-dihydroinden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-fluoro-1-hydroxy-3-propyl-2,3-dihydroinden-1-yl)acetic acid
PubChem CID139703524
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name2-(6-fluoro-1-hydroxy-3-propyl-2,3-dihydroinden-1-yl)acetic acid
SMILESCCCC1CC(O)(CC(=O)O)c2cc(F)ccc21
InChIInChI=1S/C14H17FO3/c1-2-3-9-7-14(18,8-13(16)17)12-6-10(15)4-5-11(9)12/h4-6,9,18H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyFHIHURATWWAJQM-UHFFFAOYSA-N
XLogP2.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(6-fluoro-1-hydroxy-3-propyl-2,3-dihydroinden-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-hydroxy-3-propyl-2,3-dihydroinden-1-yl)acetic acid?
The IUPAC name of 2-(6-fluoro-1-hydroxy-3-propyl-2,3-dihydroinden-1-yl)acetic acid (CID 139703524) is 2-(6-fluoro-1-hydroxy-3-propyl-2,3-dihydroinden-1-yl)acetic acid.
What is the SMILES notation for 2-(6-fluoro-1-hydroxy-3-propyl-2,3-dihydroinden-1-yl)acetic acid?
The canonical SMILES for 2-(6-fluoro-1-hydroxy-3-propyl-2,3-dihydroinden-1-yl)acetic acid is CCCC1CC(O)(CC(=O)O)c2cc(F)ccc21.
What is the InChIKey of 2-(6-fluoro-1-hydroxy-3-propyl-2,3-dihydroinden-1-yl)acetic acid?
The InChIKey is FHIHURATWWAJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-2-3-9-7-14(18,8-13(16)17)12-6-10(15)4-5-11(9)12/h4-6,9,18H,2-3,7-8H2,1H3,(H,16,17).
What are the key properties of 2-(6-fluoro-1-hydroxy-3-propyl-2,3-dihydroinden-1-yl)acetic acid?
2-(6-fluoro-1-hydroxy-3-propyl-2,3-dihydroinden-1-yl)acetic acid has a molecular weight of 252.28 g/mol, XLogP of 2.78, 4 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-3-propyl-2,3-dihydroinden-1-yl)acetic acid is sourced from PubChem (CID 139703524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).