1-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one

C21H19NO2 — CID 1483745

IUPAC1-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one
SMILESCOc1ccc(-n2c(-c3ccccc3)cc3c2CCCC3=O)cc1
InChIInChI=1S/C21H19NO2/c1-24-17-12-10-16(11-13-17)22-19-8-5-9-21(23)18(19)14-20(22)15-6-3-2-4-7-15/h2-4,6-7,10-14H,5,8-9H2,1H3
InChIKeyLEMQANPFHDCCBQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.67
Rot. Bonds3

About 1-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one

1-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one (PubChem CID 1483745) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one
PubChem CID1483745
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name1-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one
SMILESCOc1ccc(-n2c(-c3ccccc3)cc3c2CCCC3=O)cc1
InChIInChI=1S/C21H19NO2/c1-24-17-12-10-16(11-13-17)22-19-8-5-9-21(23)18(19)14-20(22)15-6-3-2-4-7-15/h2-4,6-7,10-14H,5,8-9H2,1H3
InChIKeyLEMQANPFHDCCBQ-UHFFFAOYSA-N
XLogP4.67
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one (CID 1483745) is 1-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one is COc1ccc(-n2c(-c3ccccc3)cc3c2CCCC3=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is LEMQANPFHDCCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-24-17-12-10-16(11-13-17)22-19-8-5-9-21(23)18(19)14-20(22)15-6-3-2-4-7-15/h2-4,6-7,10-14H,5,8-9H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one?
1-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 317.39 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 1483745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).