4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole

C15H11ClFNO — CID 117173296

IUPAC4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole
SMILESFc1cccc(OCc2cc3c(Cl)cccc3[nH]2)c1
InChIInChI=1S/C15H11ClFNO/c16-14-5-2-6-15-13(14)8-11(18-15)9-19-12-4-1-3-10(17)7-12/h1-8,18H,9H2
InChIKeyIJRUVVRWKWAQLZ-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.54
Rot. Bonds3

About 4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole

4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole (PubChem CID 117173296) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is 4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole.

Molecular Properties

Compound Name4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole
PubChem CID117173296
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole
SMILESFc1cccc(OCc2cc3c(Cl)cccc3[nH]2)c1
InChIInChI=1S/C15H11ClFNO/c16-14-5-2-6-15-13(14)8-11(18-15)9-19-12-4-1-3-10(17)7-12/h1-8,18H,9H2
InChIKeyIJRUVVRWKWAQLZ-UHFFFAOYSA-N
XLogP4.54
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-fluorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117173543
2-[(3-fluorophenoxy)methyl]-1H-indole
CID 117173285
4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole
CID 117171335
4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173307
2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole
CID 117184850
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
N-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine
CID 82606816
4-chloro-2-(methylsulfanylmethyl)-1H-indole
CID 117173429
5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole
CID 70277735
2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine
CID 117187295
2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117173534
8-chloro-3-[(3-fluorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256832

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole?
The IUPAC name of 4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole (CID 117173296) is 4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole.
What is the SMILES notation for 4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole?
The canonical SMILES for 4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole is Fc1cccc(OCc2cc3c(Cl)cccc3[nH]2)c1.
What is the InChIKey of 4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole?
The InChIKey is IJRUVVRWKWAQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-14-5-2-6-15-13(14)8-11(18-15)9-19-12-4-1-3-10(17)7-12/h1-8,18H,9H2.
What are the key properties of 4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole?
4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole has a molecular weight of 275.71 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole is sourced from PubChem (CID 117173296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).