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3-(Phenylmethoxy)cyclobutanemethanol

CAT: 0572-TRC-P400075-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P400075-500MGSize:500 mg
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CAS Number
156865-32-6
Hazard Statement
No Data Available
Smiles
OCC1CC(C1)OCc2ccccc2
Molecular Formula
C12 H16 O2
Molecular Weight
192.254
InChI
InChI=1S/C12H16O2/c13-8-11-6-12(7-11)14-9-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
Additionnal Information
IUPAC name: (3-phenylmethoxycyclobutyl)methanol
Shipping Conditions
Room Temperature

Chemical Information

(3-(Benzyloxy)cyclobutyl)methanol
CAS Number156865-32-6
PubChem CID15221213
IUPAC Name(3-phenylmethoxycyclobutyl)methanol
Molecular FormulaC12H16O2
Molecular Weight192.25
XLogP1.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity158
SMILES
C1C(CC1OCC2=CC=CC=C2)CO
InChI
InChI=1S/C12H16O2/c13-8-11-6-12(7-11)14-9-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChIKey
GUMINBOCIUCMJL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-(Benzyloxy)cyclobutyl)methanol
CAS: 156865-32-6
CID: 15221213
Formula: C12H16O2
MW: 192.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.25
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass192.115029749
Monoisotopic Mass192.115029749
Topological Polar Surface Area29.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity158
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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