ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol

C14H23NO2 — CID 142507524

IUPACethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
SMILESCC.COc1ccc(C(O)C2CCCN2)cc1
InChIInChI=1S/C12H17NO2.C2H6/c1-15-10-6-4-9(5-7-10)12(14)11-3-2-8-13-11;1-2/h4-7,11-14H,2-3,8H2,1H3;1-2H3
InChIKeySCVZHJKCLKCGRT-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds3

About ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol

ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol (PubChem CID 142507524) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Nameethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
PubChem CID142507524
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
SMILESCC.COc1ccc(C(O)C2CCCN2)cc1
InChIInChI=1S/C12H17NO2.C2H6/c1-15-10-6-4-9(5-7-10)12(14)11-3-2-8-13-11;1-2/h4-7,11-14H,2-3,8H2,1H3;1-2H3
InChIKeySCVZHJKCLKCGRT-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 135313109
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol
CID 142625617
(3-methoxyphenyl)-[(2S)-piperidin-2-yl]methanol
CID 69187424
(S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 135313112
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 10587632
(R)-[4-(2-isocyanoethoxy)phenyl]-[(2S)-pyrrolidin-2-yl]methanol
CID 169321869
(4-methoxyphenyl)-(2-methylcyclopentyl)methanol
CID 107181512
[4-(4-methoxyphenyl)phenyl]-piperidin-4-ylmethanol
CID 82341647
ethane;(3-fluorophenyl)-pyrrolidin-2-ylmethanol;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 155698677

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol?
The IUPAC name of ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol (CID 142507524) is ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol is CC.COc1ccc(C(O)C2CCCN2)cc1.
What is the InChIKey of ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol?
The InChIKey is SCVZHJKCLKCGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C2H6/c1-15-10-6-4-9(5-7-10)12(14)11-3-2-8-13-11;1-2/h4-7,11-14H,2-3,8H2,1H3;1-2H3.
What are the key properties of ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol?
ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol has a molecular weight of 237.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 142507524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).