methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate

C13H17NO3 — CID 66519346

IUPACmethyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(O)c([C@H]2CCCN2)c1
InChIInChI=1S/C13H17NO3/c1-17-13(16)8-9-4-5-12(15)10(7-9)11-3-2-6-14-11/h4-5,7,11,14-15H,2-3,6,8H2,1H3/t11-/m1/s1
InChIKeyVXSPIJMKEQCGQY-LLVKDONJSA-N
MW235.28 g/mol
LogP1.53
Rot. Bonds3

About methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate

methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate (PubChem CID 66519346) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate
PubChem CID66519346
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(O)c([C@H]2CCCN2)c1
InChIInChI=1S/C13H17NO3/c1-17-13(16)8-9-4-5-12(15)10(7-9)11-3-2-6-14-11/h4-5,7,11,14-15H,2-3,6,8H2,1H3/t11-/m1/s1
InChIKeyVXSPIJMKEQCGQY-LLVKDONJSA-N
XLogP1.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-pyrrolidin-2-ylphenyl)acetate
CID 70987357
methyl 2-[4-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66518883
4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol
CID 66519378
4-methoxy-2-[(2S)-piperidin-2-yl]phenol
CID 131531573
4-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131513044
2-[(2R)-azetidin-2-yl]-4-(methoxymethyl)phenol
CID 55262268
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
4-bromo-2-piperidin-2-ylphenol
CID 82623427
tert-butyl 4-[2-hydroxy-5-(2-methoxy-2-oxoethyl)phenyl]piperidine-1-carboxylate
CID 171369398
4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol
CID 84677007
methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 59505660
2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol
CID 171196437

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate?
The IUPAC name of methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate (CID 66519346) is methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate is COC(=O)Cc1ccc(O)c([C@H]2CCCN2)c1.
What is the InChIKey of methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate?
The InChIKey is VXSPIJMKEQCGQY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-13(16)8-9-4-5-12(15)10(7-9)11-3-2-6-14-11/h4-5,7,11,14-15H,2-3,6,8H2,1H3/t11-/m1/s1.
What are the key properties of methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate?
methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate has a molecular weight of 235.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate is sourced from PubChem (CID 66519346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).