(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane

C19H20O3 — CID 15567135

IUPAC(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
SMILESc1ccc(CO[C@H]2C[C@@H](OCc3ccccc3)[C@@H]3O[C@@H]32)cc1
InChIInChI=1S/C19H20O3/c1-3-7-14(8-4-1)12-20-16-11-17(19-18(16)22-19)21-13-15-9-5-2-6-10-15/h1-10,16-19H,11-13H2/t16-,17+,18+,19-
InChIKeyPJQRDYKQQBDOSO-SEXKYXSUSA-N
MW296.37 g/mol
LogP3.33
Rot. Bonds6

About (1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane

(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane (PubChem CID 15567135) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
PubChem CID15567135
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
SMILESc1ccc(CO[C@H]2C[C@@H](OCc3ccccc3)[C@@H]3O[C@@H]32)cc1
InChIInChI=1S/C19H20O3/c1-3-7-14(8-4-1)12-20-16-11-17(19-18(16)22-19)21-13-15-9-5-2-6-10-15/h1-10,16-19H,11-13H2/t16-,17+,18+,19-
InChIKeyPJQRDYKQQBDOSO-SEXKYXSUSA-N
XLogP3.33
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,4R,5R)-2,4-bis(phenylmethoxy)-8-oxabicyclo[3.2.1]octane
CID 71725331
(1R,2S,4R,5R,7S)-4-methoxy-7-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 170851120
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(4S,5S,7aR)-2,2-dimethyl-4,5,7-tris(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole
CID 71094798
(2S,4R,7S)-7-ethyl-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70383436
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
(2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane
CID 14133730
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
(2S,3S,5R,6S)-2-(iodomethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxane
CID 10917646

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of (1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane (CID 15567135) is (1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane is c1ccc(CO[C@H]2C[C@@H](OCc3ccccc3)[C@@H]3O[C@@H]32)cc1.
What is the InChIKey of (1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane?
The InChIKey is PJQRDYKQQBDOSO-SEXKYXSUSA-N. The full InChI is InChI=1S/C19H20O3/c1-3-7-14(8-4-1)12-20-16-11-17(19-18(16)22-19)21-13-15-9-5-2-6-10-15/h1-10,16-19H,11-13H2/t16-,17+,18+,19-.
What are the key properties of (1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane?
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane has a molecular weight of 296.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 15567135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).