1-(4-chlorophenyl)-2-indol-1-yloxyethanone

C16H12ClNO2 — CID 70134400

IUPAC1-(4-chlorophenyl)-2-indol-1-yloxyethanone
SMILESO=C(COn1ccc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO2/c17-14-7-5-13(6-8-14)16(19)11-20-18-10-9-12-3-1-2-4-15(12)18/h1-10H,11H2
InChIKeyBOYFABLPJIRWDU-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.61
Rot. Bonds4

About 1-(4-chlorophenyl)-2-indol-1-yloxyethanone

1-(4-chlorophenyl)-2-indol-1-yloxyethanone (PubChem CID 70134400) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-indol-1-yloxyethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-indol-1-yloxyethanone
PubChem CID70134400
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name1-(4-chlorophenyl)-2-indol-1-yloxyethanone
SMILESO=C(COn1ccc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO2/c17-14-7-5-13(6-8-14)16(19)11-20-18-10-9-12-3-1-2-4-15(12)18/h1-10H,11H2
InChIKeyBOYFABLPJIRWDU-UHFFFAOYSA-N
XLogP3.61
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-indol-1-yloxyethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-indol-1-yloxyethanone (CID 70134400) is 1-(4-chlorophenyl)-2-indol-1-yloxyethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-indol-1-yloxyethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-indol-1-yloxyethanone is O=C(COn1ccc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-indol-1-yloxyethanone?
The InChIKey is BOYFABLPJIRWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-14-7-5-13(6-8-14)16(19)11-20-18-10-9-12-3-1-2-4-15(12)18/h1-10H,11H2.
What are the key properties of 1-(4-chlorophenyl)-2-indol-1-yloxyethanone?
1-(4-chlorophenyl)-2-indol-1-yloxyethanone has a molecular weight of 285.73 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-indol-1-yloxyethanone is sourced from PubChem (CID 70134400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).