4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol

C12H15NO — CID 84771191

IUPAC4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol
SMILESOc1ccc(C23CCC2CNC3)cc1
InChIInChI=1S/C12H15NO/c14-11-3-1-9(2-4-11)12-6-5-10(12)7-13-8-12/h1-4,10,13-14H,5-8H2
InChIKeyQVBRCGNXJUCPSU-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.64
Rot. Bonds1

About 4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol

4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol (PubChem CID 84771191) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol.

Molecular Properties

Compound Name4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol
PubChem CID84771191
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol
SMILESOc1ccc(C23CCC2CNC3)cc1
InChIInChI=1S/C12H15NO/c14-11-3-1-9(2-4-11)12-6-5-10(12)7-13-8-12/h1-4,10,13-14H,5-8H2
InChIKeyQVBRCGNXJUCPSU-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 84770532
1-phenyl-3-azabicyclo[3.2.0]heptane
CID 84766513
ethane;1-phenyl-3-azabicyclo[3.2.0]heptane
CID 143290504
4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol
CID 84777454
3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 75181358
(3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 53391718
4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol
CID 125450482
(5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 90840976
(1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane
CID 143307302
4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-(2-methylpropyl)cyclopentyl]cyclohexyl]phenol
CID 139952383
1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane
CID 13279027
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90902808

Frequently Asked Questions

What is the IUPAC name of 4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol?
The IUPAC name of 4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol (CID 84771191) is 4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol.
What is the SMILES notation for 4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol?
The canonical SMILES for 4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol is Oc1ccc(C23CCC2CNC3)cc1.
What is the InChIKey of 4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol?
The InChIKey is QVBRCGNXJUCPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-11-3-1-9(2-4-11)12-6-5-10(12)7-13-8-12/h1-4,10,13-14H,5-8H2.
What are the key properties of 4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol?
4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol has a molecular weight of 189.26 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol is sourced from PubChem (CID 84771191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).