1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]benzo[cd]indol-2-one

C21H18FNO3 — CID 42891665

IUPAC1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CC(O)COCc1ccccc1F
InChIInChI=1S/C21H18FNO3/c22-18-9-2-1-5-15(18)12-26-13-16(24)11-23-19-10-4-7-14-6-3-8-17(20(14)19)21(23)25/h1-10,16,24H,11-13H2
InChIKeyNSTAYQZXXLNSKW-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.52
Rot. Bonds6

About 1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]benzo[cd]indol-2-one

1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]benzo[cd]indol-2-one (PubChem CID 42891665) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]benzo[cd]indol-2-one
PubChem CID42891665
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CC(O)COCc1ccccc1F
InChIInChI=1S/C21H18FNO3/c22-18-9-2-1-5-15(18)12-26-13-16(24)11-23-19-10-4-7-14-6-3-8-17(20(14)19)21(23)25/h1-10,16,24H,11-13H2
InChIKeyNSTAYQZXXLNSKW-UHFFFAOYSA-N
XLogP3.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]benzo[cd]indol-2-one (CID 42891665) is 1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]benzo[cd]indol-2-one is O=C1c2cccc3cccc(c23)N1CC(O)COCc1ccccc1F.
What is the InChIKey of 1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]benzo[cd]indol-2-one?
The InChIKey is NSTAYQZXXLNSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c22-18-9-2-1-5-15(18)12-26-13-16(24)11-23-19-10-4-7-14-6-3-8-17(20(14)19)21(23)25/h1-10,16,24H,11-13H2.
What are the key properties of 1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]benzo[cd]indol-2-one?
1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]benzo[cd]indol-2-one has a molecular weight of 351.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]benzo[cd]indol-2-one is sourced from PubChem (CID 42891665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).