4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol

C12H15NO2 — CID 84734044

IUPAC4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol
SMILESOc1ccc(OCC23CNCC2C3)cc1
InChIInChI=1S/C12H15NO2/c14-10-1-3-11(4-2-10)15-8-12-5-9(12)6-13-7-12/h1-4,9,13-14H,5-8H2
InChIKeyGHTMXWIAWGJNPZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.38
Rot. Bonds3

About 4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol

4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol (PubChem CID 84734044) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol.

Molecular Properties

Compound Name4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol
PubChem CID84734044
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol
SMILESOc1ccc(OCC23CNCC2C3)cc1
InChIInChI=1S/C12H15NO2/c14-10-1-3-11(4-2-10)15-8-12-5-9(12)6-13-7-12/h1-4,9,13-14H,5-8H2
InChIKeyGHTMXWIAWGJNPZ-UHFFFAOYSA-N
XLogP1.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromophenoxy)methyl]-3-azabicyclo[3.1.0]hexane
CID 84738582
1-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84777463
4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol
CID 84777454
1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84780048
[5-[3-(4-fluorophenoxy)propyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
CID 137339259
4-[[1-(aminomethyl)cyclopropyl]methoxy]phenol
CID 84664886
1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84771998
4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol
CID 84771191
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
4-(azetidin-2-ylmethoxy)phenol
CID 115070936
4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol
CID 125450482
1-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84804235

Frequently Asked Questions

What is the IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol?
The IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol (CID 84734044) is 4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol.
What is the SMILES notation for 4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol?
The canonical SMILES for 4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol is Oc1ccc(OCC23CNCC2C3)cc1.
What is the InChIKey of 4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol?
The InChIKey is GHTMXWIAWGJNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-10-1-3-11(4-2-10)15-8-12-5-9(12)6-13-7-12/h1-4,9,13-14H,5-8H2.
What are the key properties of 4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol?
4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol has a molecular weight of 205.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol is sourced from PubChem (CID 84734044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).