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

C31H36N2O3 — CID 70094406

IUPAC[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone
SMILESO=C(c1ccc(OCCN2CCCC2)cc1)c1ccccc1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C31H36N2O3/c34-31(26-11-15-28(16-12-26)36-24-22-33-19-5-6-20-33)30-8-2-1-7-29(30)25-9-13-27(14-10-25)35-23-21-32-17-3-4-18-32/h1-2,7-16H,3-6,17-24H2
InChIKeyCFAFYPREECARSH-UHFFFAOYSA-N
MW484.64 g/mol
LogP5.53
Rot. Bonds11

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

[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone (PubChem CID 70094406) has the molecular formula C31H36N2O3 and a molecular weight of 484.64 g/mol. Its IUPAC name is [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone
PubChem CID70094406
Molecular FormulaC31H36N2O3
Molecular Weight484.64 g/mol
Exact Mass484.27
IUPAC Name[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone
SMILESO=C(c1ccc(OCCN2CCCC2)cc1)c1ccccc1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C31H36N2O3/c34-31(26-11-15-28(16-12-26)36-24-22-33-19-5-6-20-33)30-8-2-1-7-29(30)25-9-13-27(14-10-25)35-23-21-32-17-3-4-18-32/h1-2,7-16H,3-6,17-24H2
InChIKeyCFAFYPREECARSH-UHFFFAOYSA-N
XLogP5.53
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone?
The IUPAC name of [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone (CID 70094406) is [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone.
What is the SMILES notation for [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone?
The canonical SMILES for [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone is O=C(c1ccc(OCCN2CCCC2)cc1)c1ccccc1-c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone?
The InChIKey is CFAFYPREECARSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O3/c34-31(26-11-15-28(16-12-26)36-24-22-33-19-5-6-20-33)30-8-2-1-7-29(30)25-9-13-27(14-10-25)35-23-21-32-17-3-4-18-32/h1-2,7-16H,3-6,17-24H2.
What are the key properties of [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone?
[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone has a molecular weight of 484.64 g/mol, XLogP of 5.53, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyrrolidin-1-ylethoxy)phenyl]-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone is sourced from PubChem (CID 70094406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).