4-benzyl-2-methoxyoxolane

C12H16O2 — CID 90688543

IUPAC4-benzyl-2-methoxyoxolane
SMILESCOC1CC(Cc2ccccc2)CO1
InChIInChI=1S/C12H16O2/c1-13-12-8-11(9-14-12)7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKeyXDXGVYYBTWAZGP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.24
Rot. Bonds3

About 4-benzyl-2-methoxyoxolane

4-benzyl-2-methoxyoxolane (PubChem CID 90688543) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-benzyl-2-methoxyoxolane.

Molecular Properties

Compound Name4-benzyl-2-methoxyoxolane
PubChem CID90688543
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-benzyl-2-methoxyoxolane
SMILESCOC1CC(Cc2ccccc2)CO1
InChIInChI=1S/C12H16O2/c1-13-12-8-11(9-14-12)7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKeyXDXGVYYBTWAZGP-UHFFFAOYSA-N
XLogP2.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
CID 11746679
(2R,5S)-5-benzyl-2-methyloxane
CID 15352618
(2S,4R)-4-[(4-nitrophenyl)methyl]-2-[(1S)-1-phenylethoxy]oxolane
CID 124828310
(2R,4S)-4-[(4-nitrophenyl)methyl]-2-[(1S)-1-phenylethoxy]oxolane
CID 124828312
2-(5-methoxyoxolan-3-yl)acetaldehyde
CID 130035371
[(1S,2R)-2-methoxycyclopropyl]methylbenzene
CID 100914167
cyclopropylmethylbenzene;ethane;methane
CID 142248267
butane;cyclopentylmethylbenzene
CID 143522605
(2R,4R)-2-benzyl-4-methyloxolane
CID 101159192
5-benzyl-2-methylcyclohexan-1-ol
CID 174712973
4-benzyl-1-methoxypiperidine
CID 146666995
(5-ethoxyoxolan-3-yl)methyl benzoate
CID 11149370

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methoxyoxolane?
The IUPAC name of 4-benzyl-2-methoxyoxolane (CID 90688543) is 4-benzyl-2-methoxyoxolane.
What is the SMILES notation for 4-benzyl-2-methoxyoxolane?
The canonical SMILES for 4-benzyl-2-methoxyoxolane is COC1CC(Cc2ccccc2)CO1.
What is the InChIKey of 4-benzyl-2-methoxyoxolane?
The InChIKey is XDXGVYYBTWAZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-13-12-8-11(9-14-12)7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3.
What are the key properties of 4-benzyl-2-methoxyoxolane?
4-benzyl-2-methoxyoxolane has a molecular weight of 192.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methoxyoxolane is sourced from PubChem (CID 90688543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).