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

C18H19NO3 — CID 2883470

IUPAC(3,4-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3CC2C)cc1OC
InChIInChI=1S/C18H19NO3/c1-12-10-13-6-4-5-7-15(13)19(12)18(20)14-8-9-16(21-2)17(11-14)22-3/h4-9,11-12H,10H2,1-3H3
InChIKeyONUZZMGFIJTAHF-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.30
Rot. Bonds3

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

(3,4-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 2883470) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID2883470
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(3,4-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3CC2C)cc1OC
InChIInChI=1S/C18H19NO3/c1-12-10-13-6-4-5-7-15(13)19(12)18(20)14-8-9-16(21-2)17(11-14)22-3/h4-9,11-12H,10H2,1-3H3
InChIKeyONUZZMGFIJTAHF-UHFFFAOYSA-N
XLogP3.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 2883470) is (3,4-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is COc1ccc(C(=O)N2c3ccccc3CC2C)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is ONUZZMGFIJTAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12-10-13-6-4-5-7-15(13)19(12)18(20)14-8-9-16(21-2)17(11-14)22-3/h4-9,11-12H,10H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(3,4-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 297.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 2883470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).