(2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone

C17H17NO2 — CID 110751870

IUPAC(2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CC(C)c2ccccc21
InChIInChI=1S/C17H17NO2/c1-12-11-18(15-9-5-3-7-13(12)15)17(19)14-8-4-6-10-16(14)20-2/h3-10,12H,11H2,1-2H3
InChIKeyOCCVUTZNBORLPQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.46
Rot. Bonds2

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

(2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 110751870) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID110751870
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CC(C)c2ccccc21
InChIInChI=1S/C17H17NO2/c1-12-11-18(15-9-5-3-7-13(12)15)17(19)14-8-4-6-10-16(14)20-2/h3-10,12H,11H2,1-2H3
InChIKeyOCCVUTZNBORLPQ-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2aS,8bS)-1-(hydroxymethyl)-4-(2-methoxybenzoyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopropylmethanone
CID 54652805
1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 75403700
(1R,2aR,8bR)-1-(hydroxymethyl)-4-(2-methoxybenzoyl)-N-phenyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
CID 54652631
(3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone
CID 110751082
(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662304
[(1S,2aR,8bR)-1-(hydroxymethyl)-2-(oxan-4-ylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(2-methoxyphenyl)methanone
CID 54652531
(2-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
(2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone
CID 110868744
cyclopentyl-(3-methyl-2,3-dihydroindol-1-yl)methanone
CID 110751863
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone
CID 123539708

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone (CID 110751870) is (2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone is COc1ccccc1C(=O)N1CC(C)c2ccccc21.
What is the InChIKey of (2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is OCCVUTZNBORLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-11-18(15-9-5-3-7-13(12)15)17(19)14-8-4-6-10-16(14)20-2/h3-10,12H,11H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone?
(2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 267.33 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110751870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).