1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one

C19H20BrNO2 — CID 47064102

IUPAC1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one
SMILESO=C(CCc1ccccc1O)N1CCCC1c1ccc(Br)cc1
InChIInChI=1S/C19H20BrNO2/c20-16-10-7-14(8-11-16)17-5-3-13-21(17)19(23)12-9-15-4-1-2-6-18(15)22/h1-2,4,6-8,10-11,17,22H,3,5,9,12-13H2
InChIKeyUROFAKSGEOHCOJ-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.45
Rot. Bonds4

About 1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one

1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one (PubChem CID 47064102) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one
PubChem CID47064102
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Name1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one
SMILESO=C(CCc1ccccc1O)N1CCCC1c1ccc(Br)cc1
InChIInChI=1S/C19H20BrNO2/c20-16-10-7-14(8-11-16)17-5-3-13-21(17)19(23)12-9-15-4-1-2-6-18(15)22/h1-2,4,6-8,10-11,17,22H,3,5,9,12-13H2
InChIKeyUROFAKSGEOHCOJ-UHFFFAOYSA-N
XLogP4.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 46421185
bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone
CID 175308107
3-(2-aminophenyl)-1-(2-phenylazepan-1-yl)propan-1-one
CID 120609446
3-(4-bromo-2-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-one
CID 51127731
3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one
CID 55688097
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94457866
1-[(2S)-2-(4-bromophenyl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 94630935
3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 94801020
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one
CID 60742305
3-(2-aminophenyl)-1-[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 120610436
5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 79199360
tert-butyl (2R)-2-(4-bromophenyl)pyrrolidine-1-carboxylate
CID 67158206

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one?
The IUPAC name of 1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one (CID 47064102) is 1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one?
The canonical SMILES for 1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one is O=C(CCc1ccccc1O)N1CCCC1c1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one?
The InChIKey is UROFAKSGEOHCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2/c20-16-10-7-14(8-11-16)17-5-3-13-21(17)19(23)12-9-15-4-1-2-6-18(15)22/h1-2,4,6-8,10-11,17,22H,3,5,9,12-13H2.
What are the key properties of 1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one?
1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one has a molecular weight of 374.28 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 47064102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).