6-fluoro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid

C20H18FNO4 — CID 86698638

IUPAC6-fluoro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid
SMILESCOc1cc(-c2cc3c(C(=O)O)c[nH]c3cc2F)ccc1C1(O)CCC1
InChIInChI=1S/C20H18FNO4/c1-26-18-7-11(3-4-15(18)20(25)5-2-6-20)12-8-13-14(19(23)24)10-22-17(13)9-16(12)21/h3-4,7-10,22,25H,2,5-6H2,1H3,(H,23,24)
InChIKeyGEDJJMKZSDIMAR-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.05
Rot. Bonds4

About 6-fluoro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid

6-fluoro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid (PubChem CID 86698638) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is 6-fluoro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid
PubChem CID86698638
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name6-fluoro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid
SMILESCOc1cc(-c2cc3c(C(=O)O)c[nH]c3cc2F)ccc1C1(O)CCC1
InChIInChI=1S/C20H18FNO4/c1-26-18-7-11(3-4-15(18)20(25)5-2-6-20)12-8-13-14(19(23)24)10-22-17(13)9-16(12)21/h3-4,7-10,22,25H,2,5-6H2,1H3,(H,23,24)
InChIKeyGEDJJMKZSDIMAR-UHFFFAOYSA-N
XLogP4.05
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid?
The IUPAC name of 6-fluoro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid (CID 86698638) is 6-fluoro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-fluoro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid is COc1cc(-c2cc3c(C(=O)O)c[nH]c3cc2F)ccc1C1(O)CCC1.
What is the InChIKey of 6-fluoro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid?
The InChIKey is GEDJJMKZSDIMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-26-18-7-11(3-4-15(18)20(25)5-2-6-20)12-8-13-14(19(23)24)10-22-17(13)9-16(12)21/h3-4,7-10,22,25H,2,5-6H2,1H3,(H,23,24).
What are the key properties of 6-fluoro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid?
6-fluoro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid has a molecular weight of 355.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid is sourced from PubChem (CID 86698638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).