(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane

C12H14O2 — CID 122657901

IUPAC(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
SMILESc1ccc(COC2CC3O[C@H]3C2)cc1
InChIInChI=1S/C12H14O2/c1-2-4-9(5-3-1)8-13-10-6-11-12(7-10)14-11/h1-5,10-12H,6-8H2/t10?,11-,12?/m0/s1
InChIKeyCWRSDAPNEGDROZ-CXQJBGSLSA-N
MW190.24 g/mol
LogP2.13
Rot. Bonds3

About (5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane

(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane (PubChem CID 122657901) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
PubChem CID122657901
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
SMILESc1ccc(COC2CC3O[C@H]3C2)cc1
InChIInChI=1S/C12H14O2/c1-2-4-9(5-3-1)8-13-10-6-11-12(7-10)14-11/h1-5,10-12H,6-8H2/t10?,11-,12?/m0/s1
InChIKeyCWRSDAPNEGDROZ-CXQJBGSLSA-N
XLogP2.13
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 ≤ 52.13
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

3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol
CID 122403458
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
(1S,2S,4R,5R)-2,4-bis(phenylmethoxy)-8-oxabicyclo[3.2.1]octane
CID 71725331
(3aS,5S,6aR)-3-bromo-5-phenylmethoxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
CID 58134892
2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
[4,6-bis(phenylmethoxy)oxan-2-yl]methanamine
CID 139575571
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
4-phenylmethoxyoxane
CID 66554133
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
CID 15567135
(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol
CID 67957108
azane;cyclopentyloxymethylbenzene
CID 69411306

Frequently Asked Questions

What is the IUPAC name of (5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of (5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane (CID 122657901) is (5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for (5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for (5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane is c1ccc(COC2CC3O[C@H]3C2)cc1.
What is the InChIKey of (5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane?
The InChIKey is CWRSDAPNEGDROZ-CXQJBGSLSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-4-9(5-3-1)8-13-10-6-11-12(7-10)14-11/h1-5,10-12H,6-8H2/t10?,11-,12?/m0/s1.
What are the key properties of (5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane?
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane has a molecular weight of 190.24 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 122657901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).