(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

C19H21NO3 — CID 78834014

IUPAC(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc(C2CCCN2C(=O)c2ccccc2OC)c1
InChIInChI=1S/C19H21NO3/c1-22-15-8-5-7-14(13-15)17-10-6-12-20(17)19(21)16-9-3-4-11-18(16)23-2/h3-5,7-9,11,13,17H,6,10,12H2,1-2H3
InChIKeyIYLIDTCBQSQFQQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.68
Rot. Bonds4

About (2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 78834014) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID78834014
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc(C2CCCN2C(=O)c2ccccc2OC)c1
InChIInChI=1S/C19H21NO3/c1-22-15-8-5-7-14(13-15)17-10-6-12-20(17)19(21)16-9-3-4-11-18(16)23-2/h3-5,7-9,11,13,17H,6,10,12H2,1-2H3
InChIKeyIYLIDTCBQSQFQQ-UHFFFAOYSA-N
XLogP3.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053415
(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51929591
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 50747061
[2-(3-methoxyphenyl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 131949336
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
[4,5-dimethoxy-2-(tetrazol-1-yl)phenyl]-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92627308
3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 51091748
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 60716835

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 78834014) is (2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1cccc(C2CCCN2C(=O)c2ccccc2OC)c1.
What is the InChIKey of (2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is IYLIDTCBQSQFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-15-8-5-7-14(13-15)17-10-6-12-20(17)19(21)16-9-3-4-11-18(16)23-2/h3-5,7-9,11,13,17H,6,10,12H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 311.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 78834014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).