5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol

C17H19NO2 — CID 171196134

IUPAC5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol
SMILESOc1cc(OCc2ccccc2)ccc1[C@H]1CCCN1
InChIInChI=1S/C17H19NO2/c19-17-11-14(20-12-13-5-2-1-3-6-13)8-9-15(17)16-7-4-10-18-16/h1-3,5-6,8-9,11,16,18-19H,4,7,10,12H2/t16-/m1/s1
InChIKeyPFFSOQCYKXHQPP-MRXNPFEDSA-N
MW269.34 g/mol
LogP3.40
Rot. Bonds4

About 5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol

5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol (PubChem CID 171196134) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol
PubChem CID171196134
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol
SMILESOc1cc(OCc2ccccc2)ccc1[C@H]1CCCN1
InChIInChI=1S/C17H19NO2/c19-17-11-14(20-12-13-5-2-1-3-6-13)8-9-15(17)16-7-4-10-18-16/h1-3,5-6,8-9,11,16,18-19H,4,7,10,12H2/t16-/m1/s1
InChIKeyPFFSOQCYKXHQPP-MRXNPFEDSA-N
XLogP3.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]phenol
CID 171196544
(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196054
(2S)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196463
5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195842
(4R)-4-(2-hydroxy-4-phenylmethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185405
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329
2-phenylmethoxy-3-piperidin-2-ylpyridine
CID 102539518
(4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82550160
4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 113229452
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
(2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride
CID 171196929
(2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171193942

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol?
The IUPAC name of 5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol (CID 171196134) is 5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol is Oc1cc(OCc2ccccc2)ccc1[C@H]1CCCN1.
What is the InChIKey of 5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol?
The InChIKey is PFFSOQCYKXHQPP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17-11-14(20-12-13-5-2-1-3-6-13)8-9-15(17)16-7-4-10-18-16/h1-3,5-6,8-9,11,16,18-19H,4,7,10,12H2/t16-/m1/s1.
What are the key properties of 5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol?
5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol has a molecular weight of 269.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 171196134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).