(3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

C15H19Cl2NO2 — CID 144818586

IUPAC(3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESOC1C[C@@H]2CN(CC(O)c3ccc(Cl)cc3Cl)C[C@@H]2C1
InChIInChI=1S/C15H19Cl2NO2/c16-11-1-2-13(14(17)5-11)15(20)8-18-6-9-3-12(19)4-10(9)7-18/h1-2,5,9-10,12,15,19-20H,3-4,6-8H2/t9-,10+,12?,15?
InChIKeyDLAFAOYEDDPCAZ-BTOWRCTQSA-N
MW316.23 g/mol
LogP2.73
Rot. Bonds3

About (3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

(3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (PubChem CID 144818586) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is (3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.

Molecular Properties

Compound Name(3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
PubChem CID144818586
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name(3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESOC1C[C@@H]2CN(CC(O)c3ccc(Cl)cc3Cl)C[C@@H]2C1
InChIInChI=1S/C15H19Cl2NO2/c16-11-1-2-13(14(17)5-11)15(20)8-18-6-9-3-12(19)4-10(9)7-18/h1-2,5,9-10,12,15,19-20H,3-4,6-8H2/t9-,10+,12?,15?
InChIKeyDLAFAOYEDDPCAZ-BTOWRCTQSA-N
XLogP2.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-5-(3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
CID 118297724
(3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol
CID 94379698
(3aR,7aS)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 71009037
(1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol
CID 86340265
1-(2,4-dichlorophenyl)-2-sulfanylethanol
CID 116830061
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
(3aS,6aR)-2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 144818592
1-(2,4-dichlorophenyl)-3-methylhexan-1-ol
CID 65151033
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817552
1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol
CID 15501082
3-(2,4-dichlorophenyl)-3-hydroxypropanal
CID 114795177

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The IUPAC name of (3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (CID 144818586) is (3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.
What is the SMILES notation for (3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The canonical SMILES for (3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is OC1C[C@@H]2CN(CC(O)c3ccc(Cl)cc3Cl)C[C@@H]2C1.
What is the InChIKey of (3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The InChIKey is DLAFAOYEDDPCAZ-BTOWRCTQSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c16-11-1-2-13(14(17)5-11)15(20)8-18-6-9-3-12(19)4-10(9)7-18/h1-2,5,9-10,12,15,19-20H,3-4,6-8H2/t9-,10+,12?,15?.
What are the key properties of (3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
(3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol has a molecular weight of 316.23 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is sourced from PubChem (CID 144818586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).