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

C12H17NO — CID 164654197

IUPAC(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
SMILESCc1ccccc1C(O)[C@H]1CCCN1
InChIInChI=1S/C12H17NO/c1-9-5-2-3-6-10(9)12(14)11-7-4-8-13-11/h2-3,5-6,11-14H,4,7-8H2,1H3/t11-,12?/m1/s1
InChIKeyCFQLKWYCPILHBZ-JHJMLUEUSA-N
MW191.27 g/mol
LogP1.78
Rot. Bonds2

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

(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol (PubChem CID 164654197) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
PubChem CID164654197
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
SMILESCc1ccccc1C(O)[C@H]1CCCN1
InChIInChI=1S/C12H17NO/c1-9-5-2-3-6-10(9)12(14)11-7-4-8-13-11/h2-3,5-6,11-14H,4,7-8H2,1H3/t11-,12?/m1/s1
InChIKeyCFQLKWYCPILHBZ-JHJMLUEUSA-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

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Related Compounds

(2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane
CID 142544047
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
2-[azepan-2-yl(hydroxy)methyl]phenol
CID 84686926
2-(2-methylphenyl)-2-piperidin-2-ylacetic acid
CID 155433521
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
(R)-cyclopentyl-(2-methylphenyl)methanol
CID 93312335
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
(R)-(2,3-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 148871488
(2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol
CID 64866825
[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol
CID 106634718
(2-amino-3-pyridinyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654106
(2-amino-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639861

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol?
The IUPAC name of (2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol (CID 164654197) is (2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for (2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol?
The canonical SMILES for (2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol is Cc1ccccc1C(O)[C@H]1CCCN1.
What is the InChIKey of (2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol?
The InChIKey is CFQLKWYCPILHBZ-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-5-2-3-6-10(9)12(14)11-7-4-8-13-11/h2-3,5-6,11-14H,4,7-8H2,1H3/t11-,12?/m1/s1.
What are the key properties of (2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol?
(2-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 (2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 164654197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).