[3-(3,5-dichlorophenyl)-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone

C17H15Cl2NO2 — CID 44534357

IUPAC[3-(3,5-dichlorophenyl)-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1)N1CCCC1
InChIInChI=1S/C17H15Cl2NO2/c18-13-7-12(8-14(19)10-13)15-9-11(3-4-16(15)21)17(22)20-5-1-2-6-20/h3-4,7-10,21H,1-2,5-6H2
InChIKeyCRVHYDZNWIUTQL-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.60
Rot. Bonds2

About [3-(3,5-dichlorophenyl)-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone

[3-(3,5-dichlorophenyl)-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 44534357) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is [3-(3,5-dichlorophenyl)-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(3,5-dichlorophenyl)-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone
PubChem CID44534357
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC Name[3-(3,5-dichlorophenyl)-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1)N1CCCC1
InChIInChI=1S/C17H15Cl2NO2/c18-13-7-12(8-14(19)10-13)15-9-11(3-4-16(15)21)17(22)20-5-1-2-6-20/h3-4,7-10,21H,1-2,5-6H2
InChIKeyCRVHYDZNWIUTQL-UHFFFAOYSA-N
XLogP4.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Tert-butyl-4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)phenol
CID 11955465
4-Chloro-2-[3-oxo-1-phenyl-3-(1-pyrrolidinyl)propyl]phenol
CID 2963071
1,3-Dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone
CID 11955466
(5-Chloro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
CID 11955508
3-(3,5-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4-hydroxybenzamide
CID 44534353
3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-methoxypropyl)benzamide
CID 44534354
3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-phenylpropyl)benzamide
CID 44534355
3-(3,5-dichlorophenyl)-4-hydroxy-N,N-bis(2-hydroxyethyl)benzamide
CID 44534356
3-(3,4-dichlorophenyl)-4-hydroxy-N-[6-oxo-6-(2-pyrrolidin-1-ylethylamino)hexyl]benzamide
CID 44535286
3-(3,4-dichlorophenyl)-4-hydroxy-N-[1-oxo-1-(2-pyrrolidin-1-ylethylamino)propan-2-yl]benzamide
CID 44535287
3-(3,4-dichlorophenyl)-4-hydroxy-N-[(2S)-3-methyl-1-oxo-1-(2-pyrrolidin-1-ylethylamino)butan-2-yl]benzamide
CID 44535288
3-(3,4-dichlorophenyl)-4-hydroxy-N-[(2S)-1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylethylamino)propan-2-yl]benzamide
CID 44535289

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dichlorophenyl)-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(3,5-dichlorophenyl)-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone (CID 44534357) is [3-(3,5-dichlorophenyl)-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(3,5-dichlorophenyl)-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(3,5-dichlorophenyl)-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1)N1CCCC1.
What is the InChIKey of [3-(3,5-dichlorophenyl)-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is CRVHYDZNWIUTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c18-13-7-12(8-14(19)10-13)15-9-11(3-4-16(15)21)17(22)20-5-1-2-6-20/h3-4,7-10,21H,1-2,5-6H2.
What are the key properties of [3-(3,5-dichlorophenyl)-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone?
[3-(3,5-dichlorophenyl)-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 336.22 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dichlorophenyl)-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 44534357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).