[3-[(4-methoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone

C19H21NO3 — CID 652314

IUPAC[3-[(4-methoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(OCc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C19H21NO3/c1-22-17-7-9-18(10-8-17)23-14-15-5-4-6-16(13-15)19(21)20-11-2-3-12-20/h4-10,13H,2-3,11-12,14H2,1H3
InChIKeyFBVRZCCTQRWBLW-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.51
Rot. Bonds5

About [3-[(4-methoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone

[3-[(4-methoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 652314) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [3-[(4-methoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(4-methoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID652314
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[3-[(4-methoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(OCc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C19H21NO3/c1-22-17-7-9-18(10-8-17)23-14-15-5-4-6-16(13-15)19(21)20-11-2-3-12-20/h4-10,13H,2-3,11-12,14H2,1H3
InChIKeyFBVRZCCTQRWBLW-UHFFFAOYSA-N
XLogP3.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[(4-methoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone (CID 652314) is [3-[(4-methoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[(4-methoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[(4-methoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone is COc1ccc(OCc2cccc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of [3-[(4-methoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is FBVRZCCTQRWBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-17-7-9-18(10-8-17)23-14-15-5-4-6-16(13-15)19(21)20-11-2-3-12-20/h4-10,13H,2-3,11-12,14H2,1H3.
What are the key properties of [3-[(4-methoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone?
[3-[(4-methoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 311.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 652314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).