1-[(3-chloro-4-fluorophenyl)methyl]-4-ethoxyindole

C17H15ClFNO — CID 103041469

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-4-ethoxyindole
SMILESCCOc1cccc2c1ccn2Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H15ClFNO/c1-2-21-17-5-3-4-16-13(17)8-9-20(16)11-12-6-7-15(19)14(18)10-12/h3-10H,2,11H2,1H3
InChIKeyDYHSORVFVFUFRS-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.88
Rot. Bonds4

About 1-[(3-chloro-4-fluorophenyl)methyl]-4-ethoxyindole

1-[(3-chloro-4-fluorophenyl)methyl]-4-ethoxyindole (PubChem CID 103041469) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-4-ethoxyindole.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-4-ethoxyindole
PubChem CID103041469
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-4-ethoxyindole
SMILESCCOc1cccc2c1ccn2Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H15ClFNO/c1-2-21-17-5-3-4-16-13(17)8-9-20(16)11-12-6-7-15(19)14(18)10-12/h3-10H,2,11H2,1H3
InChIKeyDYHSORVFVFUFRS-UHFFFAOYSA-N
XLogP4.88
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-4-ethoxyindole?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-4-ethoxyindole (CID 103041469) is 1-[(3-chloro-4-fluorophenyl)methyl]-4-ethoxyindole.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-4-ethoxyindole?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-4-ethoxyindole is CCOc1cccc2c1ccn2Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-4-ethoxyindole?
The InChIKey is DYHSORVFVFUFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-2-21-17-5-3-4-16-13(17)8-9-20(16)11-12-6-7-15(19)14(18)10-12/h3-10H,2,11H2,1H3.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-4-ethoxyindole?
1-[(3-chloro-4-fluorophenyl)methyl]-4-ethoxyindole has a molecular weight of 303.76 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-4-ethoxyindole is sourced from PubChem (CID 103041469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).