3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole

C18H17ClFNO — CID 141410898

IUPAC3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole
SMILESCC(C)n1cc(Cl)c2cc(COc3cccc(F)c3)ccc21
InChIInChI=1S/C18H17ClFNO/c1-12(2)21-10-17(19)16-8-13(6-7-18(16)21)11-22-15-5-3-4-14(20)9-15/h3-10,12H,11H2,1-2H3
InChIKeyPIOMTEDNASCFOP-UHFFFAOYSA-N
MW317.79 g/mol
LogP5.59
Rot. Bonds4

About 3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole

3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole (PubChem CID 141410898) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is 3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole.

Molecular Properties

Compound Name3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole
PubChem CID141410898
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC Name3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole
SMILESCC(C)n1cc(Cl)c2cc(COc3cccc(F)c3)ccc21
InChIInChI=1S/C18H17ClFNO/c1-12(2)21-10-17(19)16-8-13(6-7-18(16)21)11-22-15-5-3-4-14(20)9-15/h3-10,12H,11H2,1-2H3
InChIKeyPIOMTEDNASCFOP-UHFFFAOYSA-N
XLogP5.59
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.79
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117178985
3,5-dichloro-1-propan-2-ylindole
CID 166553086
2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine
CID 105350731
4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173307
6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117179005
4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805220
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037860
4-[(3-fluorophenoxy)methyl]benzene-1,2-diol
CID 117220383
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
5-[3-[(4-fluorophenyl)methoxy]phenyl]-1-propan-2-ylimidazole
CID 15749942
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole?
The IUPAC name of 3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole (CID 141410898) is 3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole.
What is the SMILES notation for 3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole?
The canonical SMILES for 3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole is CC(C)n1cc(Cl)c2cc(COc3cccc(F)c3)ccc21.
What is the InChIKey of 3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole?
The InChIKey is PIOMTEDNASCFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c1-12(2)21-10-17(19)16-8-13(6-7-18(16)21)11-22-15-5-3-4-14(20)9-15/h3-10,12H,11H2,1-2H3.
What are the key properties of 3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole?
3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole has a molecular weight of 317.79 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole is sourced from PubChem (CID 141410898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).