(1R,2S,4R,5R)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane

C14H18O4 — CID 67930855

IUPAC(1R,2S,4R,5R)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](OCc2ccccc2)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C14H18O4/c1-15-12-7-11(13-9-17-14(12)18-13)16-8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13+,14+/m0/s1
InChIKeyMIVZOPZPQJYIKG-REWJHTLYSA-N
MW250.29 g/mol
LogP1.73
Rot. Bonds4

About (1R,2S,4R,5R)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane

(1R,2S,4R,5R)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 67930855) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (1R,2S,4R,5R)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,2S,4R,5R)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
PubChem CID67930855
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(1R,2S,4R,5R)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](OCc2ccccc2)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C14H18O4/c1-15-12-7-11(13-9-17-14(12)18-13)16-8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13+,14+/m0/s1
InChIKeyMIVZOPZPQJYIKG-REWJHTLYSA-N
XLogP1.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,2S,4R,5R)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5R)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,2S,4R,5R)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane (CID 67930855) is (1R,2S,4R,5R)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,2S,4R,5R)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,2S,4R,5R)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane is CO[C@@H]1C[C@H](OCc2ccccc2)[C@H]2CO[C@@H]1O2.
What is the InChIKey of (1R,2S,4R,5R)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is MIVZOPZPQJYIKG-REWJHTLYSA-N. The full InChI is InChI=1S/C14H18O4/c1-15-12-7-11(13-9-17-14(12)18-13)16-8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13+,14+/m0/s1.
What are the key properties of (1R,2S,4R,5R)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane?
(1R,2S,4R,5R)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 250.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5R)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 67930855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).