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

C19H21NO4 — CID 607139

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2c3ccccc3CC2C)cc(OC)c1OC
InChIInChI=1S/C19H21NO4/c1-12-9-13-7-5-6-8-15(13)20(12)19(21)14-10-16(22-2)18(24-4)17(11-14)23-3/h5-8,10-12H,9H2,1-4H3
InChIKeyYKIZOGMQIKZION-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.30
Rot. Bonds4

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

(2-methyl-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 607139) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID607139
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2c3ccccc3CC2C)cc(OC)c1OC
InChIInChI=1S/C19H21NO4/c1-12-9-13-7-5-6-8-15(13)20(12)19(21)14-10-16(22-2)18(24-4)17(11-14)23-3/h5-8,10-12H,9H2,1-4H3
InChIKeyYKIZOGMQIKZION-UHFFFAOYSA-N
XLogP3.30
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 607139) is (2-methyl-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2c3ccccc3CC2C)cc(OC)c1OC.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is YKIZOGMQIKZION-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12-9-13-7-5-6-8-15(13)20(12)19(21)14-10-16(22-2)18(24-4)17(11-14)23-3/h5-8,10-12H,9H2,1-4H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-methyl-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 327.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 607139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).