3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol

C12H17NO2 — CID 117296060

IUPAC3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1cccc(O)c1CC1CCCN1
InChIInChI=1S/C12H17NO2/c1-15-12-6-2-5-11(14)10(12)8-9-4-3-7-13-9/h2,5-6,9,13-14H,3-4,7-8H2,1H3
InChIKeyVBJUEKBOPQTDOU-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.70
Rot. Bonds3

About 3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol

3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117296060) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117296060
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1cccc(O)c1CC1CCCN1
InChIInChI=1S/C12H17NO2/c1-15-12-6-2-5-11(14)10(12)8-9-4-3-7-13-9/h2,5-6,9,13-14H,3-4,7-8H2,1H3
InChIKeyVBJUEKBOPQTDOU-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
CID 84778649
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117396171
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410
3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316525
5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117432090
2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417625
2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 84801195
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117460798
4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117356194
2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 117465016

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol (CID 117296060) is 3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol is COc1cccc(O)c1CC1CCCN1.
What is the InChIKey of 3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is VBJUEKBOPQTDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-12-6-2-5-11(14)10(12)8-9-4-3-7-13-9/h2,5-6,9,13-14H,3-4,7-8H2,1H3.
What are the key properties of 3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol?
3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 207.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117296060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).