(2S,4S)-2-methyl-4-phenylmethoxyoxolane

C12H16O2 — CID 25180326

IUPAC(2S,4S)-2-methyl-4-phenylmethoxyoxolane
SMILESC[C@H]1C[C@H](OCc2ccccc2)CO1
InChIInChI=1S/C12H16O2/c1-10-7-12(9-13-10)14-8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12-/m0/s1
InChIKeyXZFZNGGXHKYHPF-JQWIXIFHSA-N
MW192.26 g/mol
LogP2.38
Rot. Bonds3

About (2S,4S)-2-methyl-4-phenylmethoxyoxolane

(2S,4S)-2-methyl-4-phenylmethoxyoxolane (PubChem CID 25180326) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S,4S)-2-methyl-4-phenylmethoxyoxolane.

Molecular Properties

Compound Name(2S,4S)-2-methyl-4-phenylmethoxyoxolane
PubChem CID25180326
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2S,4S)-2-methyl-4-phenylmethoxyoxolane
SMILESC[C@H]1C[C@H](OCc2ccccc2)CO1
InChIInChI=1S/C12H16O2/c1-10-7-12(9-13-10)14-8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12-/m0/s1
InChIKeyXZFZNGGXHKYHPF-JQWIXIFHSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane
CID 21326645
(2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane
CID 134931553
(5S)-5-phenylmethoxyoxan-2-ol
CID 138637450
(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71106611
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
4-[(2-chloro-6-fluorophenyl)methoxy]-2-methyloxolane
CID 21326604
benzyl (3S,5S)-5-methyloxolane-3-carboxylate
CID 102519565
(3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane
CID 158772730
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
2,4-bis(phenylmethoxy)oxane
CID 123735835

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-4-phenylmethoxyoxolane?
The IUPAC name of (2S,4S)-2-methyl-4-phenylmethoxyoxolane (CID 25180326) is (2S,4S)-2-methyl-4-phenylmethoxyoxolane.
What is the SMILES notation for (2S,4S)-2-methyl-4-phenylmethoxyoxolane?
The canonical SMILES for (2S,4S)-2-methyl-4-phenylmethoxyoxolane is C[C@H]1C[C@H](OCc2ccccc2)CO1.
What is the InChIKey of (2S,4S)-2-methyl-4-phenylmethoxyoxolane?
The InChIKey is XZFZNGGXHKYHPF-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H16O2/c1-10-7-12(9-13-10)14-8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-4-phenylmethoxyoxolane?
(2S,4S)-2-methyl-4-phenylmethoxyoxolane has a molecular weight of 192.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-4-phenylmethoxyoxolane is sourced from PubChem (CID 25180326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).