(2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

C18H19NO3 — CID 17319734

IUPAC(2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C18H19NO3/c1-12-11-13-7-4-5-8-14(13)19(12)18(20)17-15(21-2)9-6-10-16(17)22-3/h4-10,12H,11H2,1-3H3
InChIKeyCVJWTRMSORYFNB-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.30
Rot. Bonds3

About (2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

(2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 17319734) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID17319734
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C18H19NO3/c1-12-11-13-7-4-5-8-14(13)19(12)18(20)17-15(21-2)9-6-10-16(17)22-3/h4-10,12H,11H2,1-3H3
InChIKeyCVJWTRMSORYFNB-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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Related Compounds

(2-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805
N-(2,6-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108868023
(3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 26910968
(3-chloro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133184168
(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 46819959
7-methoxy-8-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-1H-indolizin-5-one
CID 124877471
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 107362801
(2,6-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19685239
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075553
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7485583
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 17319734) is (2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is COc1cccc(OC)c1C(=O)N1c2ccccc2CC1C.
What is the InChIKey of (2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is CVJWTRMSORYFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12-11-13-7-4-5-8-14(13)19(12)18(20)17-15(21-2)9-6-10-16(17)22-3/h4-10,12H,11H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(2,6-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 (2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 17319734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).