2-fluoro-11-phenylmethoxyindolo[1,2-a]indol-10-one

C22H14FNO2 — CID 135016012

IUPAC2-fluoro-11-phenylmethoxyindolo[1,2-a]indol-10-one
SMILESO=C1c2ccccc2-n2c1c(OCc1ccccc1)c1cc(F)ccc12
InChIInChI=1S/C22H14FNO2/c23-15-10-11-19-17(12-15)22(26-13-14-6-2-1-3-7-14)20-21(25)16-8-4-5-9-18(16)24(19)20/h1-12H,13H2
InChIKeyBQFBJLJBLCGYGA-UHFFFAOYSA-N
MW343.36 g/mol
LogP4.89
Rot. Bonds3

About 2-fluoro-11-phenylmethoxyindolo[1,2-a]indol-10-one

2-fluoro-11-phenylmethoxyindolo[1,2-a]indol-10-one (PubChem CID 135016012) has the molecular formula C22H14FNO2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-fluoro-11-phenylmethoxyindolo[1,2-a]indol-10-one.

Molecular Properties

Compound Name2-fluoro-11-phenylmethoxyindolo[1,2-a]indol-10-one
PubChem CID135016012
Molecular FormulaC22H14FNO2
Molecular Weight343.36 g/mol
Exact Mass343.10
IUPAC Name2-fluoro-11-phenylmethoxyindolo[1,2-a]indol-10-one
SMILESO=C1c2ccccc2-n2c1c(OCc1ccccc1)c1cc(F)ccc12
InChIInChI=1S/C22H14FNO2/c23-15-10-11-19-17(12-15)22(26-13-14-6-2-1-3-7-14)20-21(25)16-8-4-5-9-18(16)24(19)20/h1-12H,13H2
InChIKeyBQFBJLJBLCGYGA-UHFFFAOYSA-N
XLogP4.89
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-11-phenylmethoxyindolo[1,2-a]indol-10-one?
The IUPAC name of 2-fluoro-11-phenylmethoxyindolo[1,2-a]indol-10-one (CID 135016012) is 2-fluoro-11-phenylmethoxyindolo[1,2-a]indol-10-one.
What is the SMILES notation for 2-fluoro-11-phenylmethoxyindolo[1,2-a]indol-10-one?
The canonical SMILES for 2-fluoro-11-phenylmethoxyindolo[1,2-a]indol-10-one is O=C1c2ccccc2-n2c1c(OCc1ccccc1)c1cc(F)ccc12.
What is the InChIKey of 2-fluoro-11-phenylmethoxyindolo[1,2-a]indol-10-one?
The InChIKey is BQFBJLJBLCGYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FNO2/c23-15-10-11-19-17(12-15)22(26-13-14-6-2-1-3-7-14)20-21(25)16-8-4-5-9-18(16)24(19)20/h1-12H,13H2.
What are the key properties of 2-fluoro-11-phenylmethoxyindolo[1,2-a]indol-10-one?
2-fluoro-11-phenylmethoxyindolo[1,2-a]indol-10-one has a molecular weight of 343.36 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-11-phenylmethoxyindolo[1,2-a]indol-10-one is sourced from PubChem (CID 135016012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).