2-[3-(4-chlorophenoxy)-5-fluoro-2-methylindol-1-yl]acetic acid

C17H13ClFNO3 — CID 11688573

IUPAC2-[3-(4-chlorophenoxy)-5-fluoro-2-methylindol-1-yl]acetic acid
SMILESCc1c(Oc2ccc(Cl)cc2)c2cc(F)ccc2n1CC(=O)O
InChIInChI=1S/C17H13ClFNO3/c1-10-17(23-13-5-2-11(18)3-6-13)14-8-12(19)4-7-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22)
InChIKeyVHTADBIQRDFSEO-UHFFFAOYSA-N
MW333.75 g/mol
LogP4.62
Rot. Bonds4

About 2-[3-(4-chlorophenoxy)-5-fluoro-2-methylindol-1-yl]acetic acid

2-[3-(4-chlorophenoxy)-5-fluoro-2-methylindol-1-yl]acetic acid (PubChem CID 11688573) has the molecular formula C17H13ClFNO3 and a molecular weight of 333.75 g/mol. Its IUPAC name is 2-[3-(4-chlorophenoxy)-5-fluoro-2-methylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenoxy)-5-fluoro-2-methylindol-1-yl]acetic acid
PubChem CID11688573
Molecular FormulaC17H13ClFNO3
Molecular Weight333.75 g/mol
Exact Mass333.06
IUPAC Name2-[3-(4-chlorophenoxy)-5-fluoro-2-methylindol-1-yl]acetic acid
SMILESCc1c(Oc2ccc(Cl)cc2)c2cc(F)ccc2n1CC(=O)O
InChIInChI=1S/C17H13ClFNO3/c1-10-17(23-13-5-2-11(18)3-6-13)14-8-12(19)4-7-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22)
InChIKeyVHTADBIQRDFSEO-UHFFFAOYSA-N
XLogP4.62
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenoxy)-5-fluoro-2-methylindol-1-yl]acetic acid?
The IUPAC name of 2-[3-(4-chlorophenoxy)-5-fluoro-2-methylindol-1-yl]acetic acid (CID 11688573) is 2-[3-(4-chlorophenoxy)-5-fluoro-2-methylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-chlorophenoxy)-5-fluoro-2-methylindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(4-chlorophenoxy)-5-fluoro-2-methylindol-1-yl]acetic acid is Cc1c(Oc2ccc(Cl)cc2)c2cc(F)ccc2n1CC(=O)O.
What is the InChIKey of 2-[3-(4-chlorophenoxy)-5-fluoro-2-methylindol-1-yl]acetic acid?
The InChIKey is VHTADBIQRDFSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO3/c1-10-17(23-13-5-2-11(18)3-6-13)14-8-12(19)4-7-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of 2-[3-(4-chlorophenoxy)-5-fluoro-2-methylindol-1-yl]acetic acid?
2-[3-(4-chlorophenoxy)-5-fluoro-2-methylindol-1-yl]acetic acid has a molecular weight of 333.75 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenoxy)-5-fluoro-2-methylindol-1-yl]acetic acid is sourced from PubChem (CID 11688573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).