(3S)-3-(4-chlorophenyl)pyrrolidin-3-ol

C10H12ClNO — CID 92967135

IUPAC(3S)-3-(4-chlorophenyl)pyrrolidin-3-ol
SMILESO[C@]1(c2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C10H12ClNO/c11-9-3-1-8(2-4-9)10(13)5-6-12-7-10/h1-4,12-13H,5-7H2/t10-/m1/s1
InChIKeyCAVQGCMJFBZRLQ-SNVBAGLBSA-N
MW197.67 g/mol
LogP1.52
Rot. Bonds1

About (3S)-3-(4-chlorophenyl)pyrrolidin-3-ol

(3S)-3-(4-chlorophenyl)pyrrolidin-3-ol (PubChem CID 92967135) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)pyrrolidin-3-ol
PubChem CID92967135
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name(3S)-3-(4-chlorophenyl)pyrrolidin-3-ol
SMILESO[C@]1(c2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C10H12ClNO/c11-9-3-1-8(2-4-9)10(13)5-6-12-7-10/h1-4,12-13H,5-7H2/t10-/m1/s1
InChIKeyCAVQGCMJFBZRLQ-SNVBAGLBSA-N
XLogP1.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-phenylpyrrolidin-3-ol;hydrochloride
CID 154574670
(3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol
CID 59444236
3-(2-bromo-4-chlorophenyl)pyrrolidin-3-ol
CID 117103961
3-(4-fluorophenyl)piperidin-3-ol
CID 10198053
(3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol
CID 124508626
3-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 70821859
3-(3,4-difluorophenyl)piperidin-3-ol
CID 63588300
3-(4-aminophenyl)piperidin-3-ol
CID 83878179
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743243
(4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine
CID 124566891
3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol
CID 117103973
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-3-ol
CID 55213394

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-3-(4-chlorophenyl)pyrrolidin-3-ol (CID 92967135) is (3S)-3-(4-chlorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-3-(4-chlorophenyl)pyrrolidin-3-ol is O[C@]1(c2ccc(Cl)cc2)CCNC1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)pyrrolidin-3-ol?
The InChIKey is CAVQGCMJFBZRLQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-9-3-1-8(2-4-9)10(13)5-6-12-7-10/h1-4,12-13H,5-7H2/t10-/m1/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)pyrrolidin-3-ol?
(3S)-3-(4-chlorophenyl)pyrrolidin-3-ol has a molecular weight of 197.67 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chlorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 92967135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).