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

C15H20O4 — CID 70384086

IUPAC(1S,2R,4S)-2-methoxy-5-methyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](OCc2ccccc2)C2(C)OC[C@@H]1O2
InChIInChI=1S/C15H20O4/c1-15-14(17-9-11-6-4-3-5-7-11)8-12(16-2)13(19-15)10-18-15/h3-7,12-14H,8-10H2,1-2H3/t12-,13+,14+,15?/m1/s1
InChIKeyULTFJFSKWMPPOX-CXJJLCSMSA-N
MW264.32 g/mol
LogP2.12
Rot. Bonds4

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

(1S,2R,4S)-2-methoxy-5-methyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 70384086) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1S,2R,4S)-2-methoxy-5-methyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,2R,4S)-2-methoxy-5-methyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
PubChem CID70384086
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(1S,2R,4S)-2-methoxy-5-methyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](OCc2ccccc2)C2(C)OC[C@@H]1O2
InChIInChI=1S/C15H20O4/c1-15-14(17-9-11-6-4-3-5-7-11)8-12(16-2)13(19-15)10-18-15/h3-7,12-14H,8-10H2,1-2H3/t12-,13+,14+,15?/m1/s1
InChIKeyULTFJFSKWMPPOX-CXJJLCSMSA-N
XLogP2.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,4S,5R,6S)-1-methyl-5,6-bis(phenylmethoxy)-2,7-dioxabicyclo[2.2.1]heptane
CID 11370807
(1R,2R,3S,4R,5R)-5-methyl-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octane
CID 102374432
(1R,2S,4R)-5-(2-fluoroethyl)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384741
(1R,2S,4R,5R)-4-methoxy-1-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 170851119
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane
CID 154479665
(3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan
CID 145031681
(4R)-3,3-dimethyl-4-phenylmethoxyoxolane
CID 68901005
4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 14850336
(1S,2S,4R,5R)-2,4-bis(phenylmethoxy)-8-oxabicyclo[3.2.1]octane
CID 71725331
(3aS,5R,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,3a-trimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole
CID 134366274
(8S,8aR)-2,2-dimethyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 66677124

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-2-methoxy-5-methyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1S,2R,4S)-2-methoxy-5-methyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane (CID 70384086) is (1S,2R,4S)-2-methoxy-5-methyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,2R,4S)-2-methoxy-5-methyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1S,2R,4S)-2-methoxy-5-methyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane is CO[C@@H]1C[C@H](OCc2ccccc2)C2(C)OC[C@@H]1O2.
What is the InChIKey of (1S,2R,4S)-2-methoxy-5-methyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is ULTFJFSKWMPPOX-CXJJLCSMSA-N. The full InChI is InChI=1S/C15H20O4/c1-15-14(17-9-11-6-4-3-5-7-11)8-12(16-2)13(19-15)10-18-15/h3-7,12-14H,8-10H2,1-2H3/t12-,13+,14+,15?/m1/s1.
What are the key properties of (1S,2R,4S)-2-methoxy-5-methyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane?
(1S,2R,4S)-2-methoxy-5-methyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 264.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-2-methoxy-5-methyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 70384086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).