1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane

C12H14O2 — CID 18924232

IUPAC1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
SMILESc1ccc(COC23CCCC2O3)cc1
InChIInChI=1S/C12H14O2/c1-2-5-10(6-3-1)9-13-12-8-4-7-11(12)14-12/h1-3,5-6,11H,4,7-9H2
InChIKeyVTKFSVPJTJMLQE-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.48
Rot. Bonds3

About 1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane

1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane (PubChem CID 18924232) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
PubChem CID18924232
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
SMILESc1ccc(COC23CCCC2O3)cc1
InChIInChI=1S/C12H14O2/c1-2-5-10(6-3-1)9-13-12-8-4-7-11(12)14-12/h1-3,5-6,11H,4,7-9H2
InChIKeyVTKFSVPJTJMLQE-UHFFFAOYSA-N
XLogP2.48
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 69411306
(1-phenylmethoxycyclopentyl)methanamine
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5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde
CID 172728928
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
CID 5051546
[1-(iodomethyl)cyclohexyl]oxymethylbenzene
CID 114772517
1-phenylmethoxycyclopentane-1-carbonitrile
CID 174519506
(4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine
CID 63473711
(4aS,7aS)-4a-phenylmethoxy-2,3,4,5,7,7a-hexahydrocyclopenta[b]pyran-6-one
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[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene
CID 101022105

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of 1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane (CID 18924232) is 1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane is c1ccc(COC23CCCC2O3)cc1.
What is the InChIKey of 1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane?
The InChIKey is VTKFSVPJTJMLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-5-10(6-3-1)9-13-12-8-4-7-11(12)14-12/h1-3,5-6,11H,4,7-9H2.
What are the key properties of 1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane?
1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane has a molecular weight of 190.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 18924232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).