(3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

C19H20BrNO2 — CID 1314550

IUPAC(3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(C[C@H](c1ccccc1)c1cc(Br)ccc1O)N1CCCC1
InChIInChI=1S/C19H20BrNO2/c20-15-8-9-18(22)17(12-15)16(14-6-2-1-3-7-14)13-19(23)21-10-4-5-11-21/h1-3,6-9,12,16,22H,4-5,10-11,13H2/t16-/m1/s1
InChIKeyFJHUVPLPPMJCMH-MRXNPFEDSA-N
MW374.28 g/mol
LogP4.30
Rot. Bonds4

About (3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

(3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 1314550) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is (3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID1314550
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Name(3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(C[C@H](c1ccccc1)c1cc(Br)ccc1O)N1CCCC1
InChIInChI=1S/C19H20BrNO2/c20-15-8-9-18(22)17(12-15)16(14-6-2-1-3-7-14)13-19(23)21-10-4-5-11-21/h1-3,6-9,12,16,22H,4-5,10-11,13H2/t16-/m1/s1
InChIKeyFJHUVPLPPMJCMH-MRXNPFEDSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 1314551
(3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 1331148
3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 4999569
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
(3R)-1-(azocan-1-yl)-3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
CID 26323826
(3S)-1-(azocan-1-yl)-3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
CID 26323827
1-(azocan-1-yl)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one
CID 45181483
(3R)-3-(2-fluorophenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 26392913
(3S)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 937099
3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 650871
3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide
CID 2925351
(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 40595933

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (CID 1314550) is (3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1O)N1CCCC1.
What is the InChIKey of (3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is FJHUVPLPPMJCMH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20BrNO2/c20-15-8-9-18(22)17(12-15)16(14-6-2-1-3-7-14)13-19(23)21-10-4-5-11-21/h1-3,6-9,12,16,22H,4-5,10-11,13H2/t16-/m1/s1.
What are the key properties of (3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
(3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 374.28 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 1314550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).