(3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol

C10H12ClNO2 — CID 95562583

IUPAC(3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(c2ccc(Cl)cc2)C[C@@H]1O
InChIInChI=1S/C10H12ClNO2/c11-7-1-3-8(4-2-7)12-5-9(13)10(14)6-12/h1-4,9-10,13-14H,5-6H2/t9-,10+
InChIKeyWGCUSUPBCDNJKP-AOOOYVTPSA-N
MW213.66 g/mol
LogP0.88
Rot. Bonds1

About (3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol

(3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol (PubChem CID 95562583) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol
PubChem CID95562583
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(c2ccc(Cl)cc2)C[C@@H]1O
InChIInChI=1S/C10H12ClNO2/c11-7-1-3-8(4-2-7)12-5-9(13)10(14)6-12/h1-4,9-10,13-14H,5-6H2/t9-,10+
InChIKeyWGCUSUPBCDNJKP-AOOOYVTPSA-N
XLogP0.88
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-methylazetidin-3-amine
CID 117002912
1-(4-chlorophenyl)-3,5-dimethylpiperazine
CID 22633049
(3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine
CID 166093392
1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol
CID 106667619
4-(3,4-dihydroxypyrrolidin-1-yl)benzoic acid
CID 106669870
(4-chlorophenyl)-[4-[1-(4-chlorophenyl)-4-hydroxypyrrolidin-3-yl]piperazin-1-yl]methanone
CID 66968652
1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol
CID 117025109
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol
CID 159231607
1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995167
1-(4-aminophenyl)azepane-3,4,5,6-tetrol
CID 23103824
3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane
CID 11359266

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol (CID 95562583) is (3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol is O[C@@H]1CN(c2ccc(Cl)cc2)C[C@@H]1O.
What is the InChIKey of (3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol?
The InChIKey is WGCUSUPBCDNJKP-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-7-1-3-8(4-2-7)12-5-9(13)10(14)6-12/h1-4,9-10,13-14H,5-6H2/t9-,10+.
What are the key properties of (3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol?
(3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol has a molecular weight of 213.66 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 95562583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).