2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone

C18H19NO4 — CID 729922

IUPAC2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C18H19NO4/c1-21-15-10-13(11-16(22-2)17(15)23-3)18(20)19-9-8-12-6-4-5-7-14(12)19/h4-7,10-11H,8-9H2,1-3H3
InChIKeyYPTWMTJCWNQSNF-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.92
Rot. Bonds4

About 2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone

2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 729922) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone
PubChem CID729922
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C18H19NO4/c1-21-15-10-13(11-16(22-2)17(15)23-3)18(20)19-9-8-12-6-4-5-7-14(12)19/h4-7,10-11H,8-9H2,1-3H3
InChIKeyYPTWMTJCWNQSNF-UHFFFAOYSA-N
XLogP2.92
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone (CID 729922) is 2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCc3ccccc32)cc(OC)c1OC.
What is the InChIKey of 2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is YPTWMTJCWNQSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-21-15-10-13(11-16(22-2)17(15)23-3)18(20)19-9-8-12-6-4-5-7-14(12)19/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone?
2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 313.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 729922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).