(S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol

C13H19NO3 — CID 135313109

IUPAC(S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol
SMILESCOc1cc(OC)cc([C@H](O)[C@H]2CCCN2)c1
InChIInChI=1S/C13H19NO3/c1-16-10-6-9(7-11(8-10)17-2)13(15)12-4-3-5-14-12/h6-8,12-15H,3-5H2,1-2H3/t12-,13+/m1/s1
InChIKeyKMAVYRLTMHIACB-OLZOCXBDSA-N
MW237.30 g/mol
LogP1.49
Rot. Bonds4

About (S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol

(S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol (PubChem CID 135313109) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol
PubChem CID135313109
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol
SMILESCOc1cc(OC)cc([C@H](O)[C@H]2CCCN2)c1
InChIInChI=1S/C13H19NO3/c1-16-10-6-9(7-11(8-10)17-2)13(15)12-4-3-5-14-12/h6-8,12-15H,3-5H2,1-2H3/t12-,13+/m1/s1
InChIKeyKMAVYRLTMHIACB-OLZOCXBDSA-N
XLogP1.49
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
CID 142507524
(3-methoxyphenyl)-[(2S)-piperidin-2-yl]methanol
CID 69187424
(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639944
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol
CID 142625617
(2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol
CID 64866825
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
piperidin-2-yl-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 106634630
2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 82080040
(3-methoxy-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol
CID 130673824
(3,5-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 115821693

Frequently Asked Questions

What is the IUPAC name of (S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol?
The IUPAC name of (S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol (CID 135313109) is (S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for (S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol?
The canonical SMILES for (S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol is COc1cc(OC)cc([C@H](O)[C@H]2CCCN2)c1.
What is the InChIKey of (S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol?
The InChIKey is KMAVYRLTMHIACB-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-10-6-9(7-11(8-10)17-2)13(15)12-4-3-5-14-12/h6-8,12-15H,3-5H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol?
(S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol has a molecular weight of 237.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 135313109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).