(2,4-dichloro-6-hydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone

C19H19Cl2NO2 — CID 155524672

IUPAC(2,4-dichloro-6-hydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCC(CCc2ccccc2)C1
InChIInChI=1S/C19H19Cl2NO2/c20-15-10-16(21)18(17(23)11-15)19(24)22-9-8-14(12-22)7-6-13-4-2-1-3-5-13/h1-5,10-11,14,23H,6-9,12H2
InChIKeyGSZQRVQQVRTQQJ-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.79
Rot. Bonds4

About (2,4-dichloro-6-hydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone

(2,4-dichloro-6-hydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone (PubChem CID 155524672) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is (2,4-dichloro-6-hydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichloro-6-hydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone
PubChem CID155524672
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name(2,4-dichloro-6-hydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCC(CCc2ccccc2)C1
InChIInChI=1S/C19H19Cl2NO2/c20-15-10-16(21)18(17(23)11-15)19(24)22-9-8-14(12-22)7-6-13-4-2-1-3-5-13/h1-5,10-11,14,23H,6-9,12H2
InChIKeyGSZQRVQQVRTQQJ-UHFFFAOYSA-N
XLogP4.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.79
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-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dichloro-6-hydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone (CID 155524672) is (2,4-dichloro-6-hydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dichloro-6-hydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dichloro-6-hydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone is O=C(c1c(O)cc(Cl)cc1Cl)N1CCC(CCc2ccccc2)C1.
What is the InChIKey of (2,4-dichloro-6-hydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The InChIKey is GSZQRVQQVRTQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c20-15-10-16(21)18(17(23)11-15)19(24)22-9-8-14(12-22)7-6-13-4-2-1-3-5-13/h1-5,10-11,14,23H,6-9,12H2.
What are the key properties of (2,4-dichloro-6-hydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone?
(2,4-dichloro-6-hydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone has a molecular weight of 364.27 g/mol, XLogP of 4.79, 4 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-(2-phenylethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 155524672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).