phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone

C19H21NO2 — CID 803072

IUPACphenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C19H21NO2/c21-19(16-6-2-1-3-7-16)17-8-10-18(11-9-17)22-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-15H2
InChIKeyVRZKEEUKXJSGLE-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.39
Rot. Bonds6

About phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone

phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone (PubChem CID 803072) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
PubChem CID803072
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namephenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C19H21NO2/c21-19(16-6-2-1-3-7-16)17-8-10-18(11-9-17)22-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-15H2
InChIKeyVRZKEEUKXJSGLE-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone?
The IUPAC name of phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone (CID 803072) is phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone.
What is the SMILES notation for phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone?
The canonical SMILES for phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone is O=C(c1ccccc1)c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone?
The InChIKey is VRZKEEUKXJSGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(16-6-2-1-3-7-16)17-8-10-18(11-9-17)22-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-15H2.
What are the key properties of phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone?
phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone has a molecular weight of 295.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone is sourced from PubChem (CID 803072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).