2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole

C16H13ClFNO — CID 117176767

IUPAC2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
SMILESCn1c(COc2cccc(Cl)c2)cc2cc(F)ccc21
InChIInChI=1S/C16H13ClFNO/c1-19-14(8-11-7-13(18)5-6-16(11)19)10-20-15-4-2-3-12(17)9-15/h2-9H,10H2,1H3
InChIKeyWZXXINBNIJZWJY-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.55
Rot. Bonds3

About 2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole

2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole (PubChem CID 117176767) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
PubChem CID117176767
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
SMILESCn1c(COc2cccc(Cl)c2)cc2cc(F)ccc21
InChIInChI=1S/C16H13ClFNO/c1-19-14(8-11-7-13(18)5-6-16(11)19)10-20-15-4-2-3-12(17)9-15/h2-9H,10H2,1H3
InChIKeyWZXXINBNIJZWJY-UHFFFAOYSA-N
XLogP4.55
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole
CID 117176769
2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine
CID 117176763
5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole
CID 117176751
2-[(3-chlorophenoxy)methyl]-1-methylindol-6-amine
CID 117180203
2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
CID 117180708
4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173307
5-fluoro-2-(methoxymethyl)-1-methylindole
CID 117176892
1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole
CID 117177258
O-[(5-fluoro-1-methylindol-2-yl)methyl]hydroxylamine
CID 117195230
5-chloro-1-methyl-2-[(2-methylphenoxy)methyl]indole
CID 117176704
2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
CID 60975597
[2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine
CID 117176551

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole (CID 117176767) is 2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole is Cn1c(COc2cccc(Cl)c2)cc2cc(F)ccc21.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole?
The InChIKey is WZXXINBNIJZWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-19-14(8-11-7-13(18)5-6-16(11)19)10-20-15-4-2-3-12(17)9-15/h2-9H,10H2,1H3.
What are the key properties of 2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole?
2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole has a molecular weight of 289.74 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole is sourced from PubChem (CID 117176767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).