1-[2-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-indol-4-one

C17H19NO2 — CID 107851211

IUPAC1-[2-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-indol-4-one
SMILESCOc1cccc(CCn2ccc3c2CCCC3=O)c1
InChIInChI=1S/C17H19NO2/c1-20-14-5-2-4-13(12-14)8-10-18-11-9-15-16(18)6-3-7-17(15)19/h2,4-5,9,11-12H,3,6-8,10H2,1H3
InChIKeyWIFNTNOXNIVIQI-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.26
Rot. Bonds4

About 1-[2-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-indol-4-one

1-[2-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 107851211) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-indol-4-one
PubChem CID107851211
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-indol-4-one
SMILESCOc1cccc(CCn2ccc3c2CCCC3=O)c1
InChIInChI=1S/C17H19NO2/c1-20-14-5-2-4-13(12-14)8-10-18-11-9-15-16(18)6-3-7-17(15)19/h2,4-5,9,11-12H,3,6-8,10H2,1H3
InChIKeyWIFNTNOXNIVIQI-UHFFFAOYSA-N
XLogP3.26
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-indol-4-one (CID 107851211) is 1-[2-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-indol-4-one is COc1cccc(CCn2ccc3c2CCCC3=O)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is WIFNTNOXNIVIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-14-5-2-4-13(12-14)8-10-18-11-9-15-16(18)6-3-7-17(15)19/h2,4-5,9,11-12H,3,6-8,10H2,1H3.
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-indol-4-one?
1-[2-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 269.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 107851211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).