1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole

C18H18FNO — CID 117185749

IUPAC1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole
SMILESCCn1cc(COc2cccc(F)c2)c2ccc(C)cc21
InChIInChI=1S/C18H18FNO/c1-3-20-11-14(17-8-7-13(2)9-18(17)20)12-21-16-6-4-5-15(19)10-16/h4-11H,3,12H2,1-2H3
InChIKeyNDDRPNLVNFHRGE-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.69
Rot. Bonds4

About 1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole

1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole (PubChem CID 117185749) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole.

Molecular Properties

Compound Name1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole
PubChem CID117185749
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole
SMILESCCn1cc(COc2cccc(F)c2)c2ccc(C)cc21
InChIInChI=1S/C18H18FNO/c1-3-20-11-14(17-8-7-13(2)9-18(17)20)12-21-16-6-4-5-15(19)10-16/h4-11H,3,12H2,1-2H3
InChIKeyNDDRPNLVNFHRGE-UHFFFAOYSA-N
XLogP4.69
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole?
The IUPAC name of 1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole (CID 117185749) is 1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole.
What is the SMILES notation for 1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole?
The canonical SMILES for 1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole is CCn1cc(COc2cccc(F)c2)c2ccc(C)cc21.
What is the InChIKey of 1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole?
The InChIKey is NDDRPNLVNFHRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-3-20-11-14(17-8-7-13(2)9-18(17)20)12-21-16-6-4-5-15(19)10-16/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole?
1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole has a molecular weight of 283.35 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole is sourced from PubChem (CID 117185749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).