(4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone

C18H19NO2 — CID 82550160

IUPAC(4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)C1CCCN1
InChIInChI=1S/C18H19NO2/c20-18(17-7-4-12-19-17)15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17,19H,4,7,12-13H2
InChIKeyIUKBZBBZCYWEHM-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.20
Rot. Bonds5

About (4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone

(4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone (PubChem CID 82550160) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone
PubChem CID82550160
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)C1CCCN1
InChIInChI=1S/C18H19NO2/c20-18(17-7-4-12-19-17)15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17,19H,4,7,12-13H2
InChIKeyIUKBZBBZCYWEHM-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119296149
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296140
phenyl(piperidin-2-yl)methanone
CID 19772085
[4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone
CID 57323043
(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196054
(2S)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196463
phenyl-[(2S)-pyrrolidin-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 21080202
4-phenylmethoxybenzoic acid
CID 68896574
2-phenoxyethyl pyrrolidine-2-carboxylate
CID 61302272
azetidin-2-yl(phenyl)methanone
CID 84651225
(4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 42076627

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone (CID 82550160) is (4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone is O=C(c1ccc(OCc2ccccc2)cc1)C1CCCN1.
What is the InChIKey of (4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone?
The InChIKey is IUKBZBBZCYWEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(17-7-4-12-19-17)15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17,19H,4,7,12-13H2.
What are the key properties of (4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone?
(4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone has a molecular weight of 281.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 82550160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).