(2,4-dichloro-6-hydroxyphenyl)-(3-phenylpyrrolidin-1-yl)methanone

C17H15Cl2NO2 — CID 155542737

IUPAC(2,4-dichloro-6-hydroxyphenyl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H15Cl2NO2/c18-13-8-14(19)16(15(21)9-13)17(22)20-7-6-12(10-20)11-4-2-1-3-5-11/h1-5,8-9,12,21H,6-7,10H2
InChIKeyGWCNKPRKEOMWNL-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.33
Rot. Bonds2

About (2,4-dichloro-6-hydroxyphenyl)-(3-phenylpyrrolidin-1-yl)methanone

(2,4-dichloro-6-hydroxyphenyl)-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 155542737) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is (2,4-dichloro-6-hydroxyphenyl)-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichloro-6-hydroxyphenyl)-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID155542737
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC Name(2,4-dichloro-6-hydroxyphenyl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H15Cl2NO2/c18-13-8-14(19)16(15(21)9-13)17(22)20-7-6-12(10-20)11-4-2-1-3-5-11/h1-5,8-9,12,21H,6-7,10H2
InChIKeyGWCNKPRKEOMWNL-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-6-hydroxyphenyl)-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,4-dichloro-6-hydroxyphenyl)-(3-phenylpyrrolidin-1-yl)methanone (CID 155542737) is (2,4-dichloro-6-hydroxyphenyl)-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,4-dichloro-6-hydroxyphenyl)-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,4-dichloro-6-hydroxyphenyl)-(3-phenylpyrrolidin-1-yl)methanone is O=C(c1c(O)cc(Cl)cc1Cl)N1CCC(c2ccccc2)C1.
What is the InChIKey of (2,4-dichloro-6-hydroxyphenyl)-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is GWCNKPRKEOMWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c18-13-8-14(19)16(15(21)9-13)17(22)20-7-6-12(10-20)11-4-2-1-3-5-11/h1-5,8-9,12,21H,6-7,10H2.
What are the key properties of (2,4-dichloro-6-hydroxyphenyl)-(3-phenylpyrrolidin-1-yl)methanone?
(2,4-dichloro-6-hydroxyphenyl)-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 336.22 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-6-hydroxyphenyl)-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 155542737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).