2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol

C14H19NO3 — CID 82983417

IUPAC2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
SMILESCOc1ccc(CN2CC3CCC(C2)O3)cc1O
InChIInChI=1S/C14H19NO3/c1-17-14-5-2-10(6-13(14)16)7-15-8-11-3-4-12(9-15)18-11/h2,5-6,11-12,16H,3-4,7-9H2,1H3
InChIKeyCTSMKRNXIITIOB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.76
Rot. Bonds3

About 2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol

2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol (PubChem CID 82983417) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol.

Molecular Properties

Compound Name2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
PubChem CID82983417
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
SMILESCOc1ccc(CN2CC3CCC(C2)O3)cc1O
InChIInChI=1S/C14H19NO3/c1-17-14-5-2-10(6-13(14)16)7-15-8-11-3-4-12(9-15)18-11/h2,5-6,11-12,16H,3-4,7-9H2,1H3
InChIKeyCTSMKRNXIITIOB-UHFFFAOYSA-N
XLogP1.76
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methoxyphenol
CID 82982928
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol
CID 84594406
2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzonitrile
CID 66392107
1-[(3-hydroxy-4-methoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65071834
2-bromo-6-methoxy-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
CID 82983263
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120909606
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
CID 104961912
2-methoxy-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenol
CID 102746757
1-[2-methoxy-5-[[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 172657582
2-methoxy-5-[(4-propylpiperazin-1-yl)methyl]phenol
CID 115280838
2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
CID 82979671
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol
CID 120781423

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol?
The IUPAC name of 2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol (CID 82983417) is 2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol.
What is the SMILES notation for 2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol?
The canonical SMILES for 2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol is COc1ccc(CN2CC3CCC(C2)O3)cc1O.
What is the InChIKey of 2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol?
The InChIKey is CTSMKRNXIITIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-14-5-2-10(6-13(14)16)7-15-8-11-3-4-12(9-15)18-11/h2,5-6,11-12,16H,3-4,7-9H2,1H3.
What are the key properties of 2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol?
2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol has a molecular weight of 249.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol is sourced from PubChem (CID 82983417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).