4,6-difluoro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid

C19H15F2NO3 — CID 71767833

IUPAC4,6-difluoro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(F)c(-c3ccc(C4(O)CCC4)cc3)c(F)c12
InChIInChI=1S/C19H15F2NO3/c20-13-8-14-16(12(9-22-14)18(23)24)17(21)15(13)10-2-4-11(5-3-10)19(25)6-1-7-19/h2-5,8-9,22,25H,1,6-7H2,(H,23,24)
InChIKeyVPUNMIRZXILGLE-UHFFFAOYSA-N
MW343.33 g/mol
LogP4.18
Rot. Bonds3

About 4,6-difluoro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid

4,6-difluoro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid (PubChem CID 71767833) has the molecular formula C19H15F2NO3 and a molecular weight of 343.33 g/mol. Its IUPAC name is 4,6-difluoro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name4,6-difluoro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid
PubChem CID71767833
Molecular FormulaC19H15F2NO3
Molecular Weight343.33 g/mol
Exact Mass343.10
IUPAC Name4,6-difluoro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(F)c(-c3ccc(C4(O)CCC4)cc3)c(F)c12
InChIInChI=1S/C19H15F2NO3/c20-13-8-14-16(12(9-22-14)18(23)24)17(21)15(13)10-2-4-11(5-3-10)19(25)6-1-7-19/h2-5,8-9,22,25H,1,6-7H2,(H,23,24)
InChIKeyVPUNMIRZXILGLE-UHFFFAOYSA-N
XLogP4.18
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid?
The IUPAC name of 4,6-difluoro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid (CID 71767833) is 4,6-difluoro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid.
What is the SMILES notation for 4,6-difluoro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid?
The canonical SMILES for 4,6-difluoro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2cc(F)c(-c3ccc(C4(O)CCC4)cc3)c(F)c12.
What is the InChIKey of 4,6-difluoro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid?
The InChIKey is VPUNMIRZXILGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3/c20-13-8-14-16(12(9-22-14)18(23)24)17(21)15(13)10-2-4-11(5-3-10)19(25)6-1-7-19/h2-5,8-9,22,25H,1,6-7H2,(H,23,24).
What are the key properties of 4,6-difluoro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid?
4,6-difluoro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid has a molecular weight of 343.33 g/mol, XLogP of 4.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid is sourced from PubChem (CID 71767833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).