(1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane

C11H12O2 — CID 54108121

IUPAC(1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane
SMILESc1ccc(OC2CC[C@@H]3O[C@@H]23)cc1
InChIInChI=1S/C11H12O2/c1-2-4-8(5-3-1)12-9-6-7-10-11(9)13-10/h1-5,9-11H,6-7H2/t9?,10-,11-/m0/s1
InChIKeyNFEWTWHHLCGTPZ-DVRYWGNFSA-N
MW176.22 g/mol
LogP2.00
Rot. Bonds2

About (1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane

(1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane (PubChem CID 54108121) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane
PubChem CID54108121
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane
SMILESc1ccc(OC2CC[C@@H]3O[C@@H]23)cc1
InChIInChI=1S/C11H12O2/c1-2-4-8(5-3-1)12-9-6-7-10-11(9)13-10/h1-5,9-11H,6-7H2/t9?,10-,11-/m0/s1
InChIKeyNFEWTWHHLCGTPZ-DVRYWGNFSA-N
XLogP2.00
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.00
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

(3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 22808602
2-phenoxycyclopentane-1-thiol
CID 130451527
(1R,2R,6R)-2-trityloxy-7-oxabicyclo[4.1.0]heptane
CID 86667163
(2R,6R)-2-trityloxy-7-oxabicyclo[4.1.0]heptane
CID 88896051
2-phenoxycyclooctan-1-ol
CID 22247671
(2R)-2-phenoxyoxetane
CID 154469207
(2S,3R)-3-phenoxy-2-phenylpiperidine
CID 97356138
4-phenoxyoxane
CID 58483739
(1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane
CID 170851211
4-phenoxypyrrolidine-3-thiol
CID 130451524
tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane
CID 11462313
trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol
CID 102735416

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane (CID 54108121) is (1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane is c1ccc(OC2CC[C@@H]3O[C@@H]23)cc1.
What is the InChIKey of (1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane?
The InChIKey is NFEWTWHHLCGTPZ-DVRYWGNFSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-4-8(5-3-1)12-9-6-7-10-11(9)13-10/h1-5,9-11H,6-7H2/t9?,10-,11-/m0/s1.
What are the key properties of (1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane?
(1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane has a molecular weight of 176.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 54108121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).