6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic acid

C16H12FNO3 — CID 10541103

IUPAC6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(OCc3ccccc3)cc(F)cc2[nH]1
InChIInChI=1S/C16H12FNO3/c17-11-6-13-12(8-14(18-13)16(19)20)15(7-11)21-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H,19,20)
InChIKeyQJIMQPIVDABMMP-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.58
Rot. Bonds4

About 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic acid

6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic acid (PubChem CID 10541103) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic acid
PubChem CID10541103
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(OCc3ccccc3)cc(F)cc2[nH]1
InChIInChI=1S/C16H12FNO3/c17-11-6-13-12(8-14(18-13)16(19)20)15(7-11)21-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H,19,20)
InChIKeyQJIMQPIVDABMMP-UHFFFAOYSA-N
XLogP3.58
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic 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 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic acid?
The IUPAC name of 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic acid (CID 10541103) is 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic acid is O=C(O)c1cc2c(OCc3ccccc3)cc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic acid?
The InChIKey is QJIMQPIVDABMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-11-6-13-12(8-14(18-13)16(19)20)15(7-11)21-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H,19,20).
What are the key properties of 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic acid?
6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic acid has a molecular weight of 285.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 10541103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).