2-phenylmethoxy-6-(pyrrolidin-2-ylmethyl)phenol

C18H21NO2 — CID 117455633

IUPAC2-phenylmethoxy-6-(pyrrolidin-2-ylmethyl)phenol
SMILESOc1c(CC2CCCN2)cccc1OCc1ccccc1
InChIInChI=1S/C18H21NO2/c20-18-15(12-16-9-5-11-19-16)8-4-10-17(18)21-13-14-6-2-1-3-7-14/h1-4,6-8,10,16,19-20H,5,9,11-13H2
InChIKeyLYULNEMCHWJZPM-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.27
Rot. Bonds5

About 2-phenylmethoxy-6-(pyrrolidin-2-ylmethyl)phenol

2-phenylmethoxy-6-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117455633) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-phenylmethoxy-6-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-phenylmethoxy-6-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117455633
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-phenylmethoxy-6-(pyrrolidin-2-ylmethyl)phenol
SMILESOc1c(CC2CCCN2)cccc1OCc1ccccc1
InChIInChI=1S/C18H21NO2/c20-18-15(12-16-9-5-11-19-16)8-4-10-17(18)21-13-14-6-2-1-3-7-14/h1-4,6-8,10,16,19-20H,5,9,11-13H2
InChIKeyLYULNEMCHWJZPM-UHFFFAOYSA-N
XLogP3.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylmethoxy-6-(piperidin-4-ylmethyl)phenol
CID 117479063
N-[(2-phenylmethoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119736953
2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol
CID 84691153
2-(aminomethyl)-6-phenylmethoxyphenol
CID 117330545
2-[(2-propoxyphenyl)methyl]piperidine
CID 104662380
[2-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]methanol
CID 102820156
1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117118193
3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316525
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
2-bromo-6-phenylmethoxyphenol
CID 67346586
3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117296060

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-6-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 2-phenylmethoxy-6-(pyrrolidin-2-ylmethyl)phenol (CID 117455633) is 2-phenylmethoxy-6-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 2-phenylmethoxy-6-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 2-phenylmethoxy-6-(pyrrolidin-2-ylmethyl)phenol is Oc1c(CC2CCCN2)cccc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-6-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is LYULNEMCHWJZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-18-15(12-16-9-5-11-19-16)8-4-10-17(18)21-13-14-6-2-1-3-7-14/h1-4,6-8,10,16,19-20H,5,9,11-13H2.
What are the key properties of 2-phenylmethoxy-6-(pyrrolidin-2-ylmethyl)phenol?
2-phenylmethoxy-6-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 283.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-6-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117455633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).