(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol

C12H17NO — CID 39238470

IUPAC(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
SMILESCc1ccc([C@H](O)[C@H]2CCCN2)cc1
InChIInChI=1S/C12H17NO/c1-9-4-6-10(7-5-9)12(14)11-3-2-8-13-11/h4-7,11-14H,2-3,8H2,1H3/t11-,12+/m1/s1
InChIKeyZUFDXQMGWIJUDE-NEPJUHHUSA-N
MW191.27 g/mol
LogP1.78
Rot. Bonds2

About (S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol

(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol (PubChem CID 39238470) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
PubChem CID39238470
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
SMILESCc1ccc([C@H](O)[C@H]2CCCN2)cc1
InChIInChI=1S/C12H17NO/c1-9-4-6-10(7-5-9)12(14)11-3-2-8-13-11/h4-7,11-14H,2-3,8H2,1H3/t11-,12+/m1/s1
InChIKeyZUFDXQMGWIJUDE-NEPJUHHUSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol 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

ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
ethane;(3-fluorophenyl)-pyrrolidin-2-ylmethanol;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 155698677
(S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 135313112
ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
CID 142507524
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
(2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine
CID 59629015
(2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol
CID 64866825
(R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol
CID 138481036
(4-nitrophenyl)-piperidin-2-ylmethanol
CID 68538159

Frequently Asked Questions

What is the IUPAC name of (S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol?
The IUPAC name of (S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol (CID 39238470) is (S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for (S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol?
The canonical SMILES for (S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol is Cc1ccc([C@H](O)[C@H]2CCCN2)cc1.
What is the InChIKey of (S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol?
The InChIKey is ZUFDXQMGWIJUDE-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-4-6-10(7-5-9)12(14)11-3-2-8-13-11/h4-7,11-14H,2-3,8H2,1H3/t11-,12+/m1/s1.
What are the key properties of (S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol?
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol has a molecular weight of 191.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 39238470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).