methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate

C15H20O3 — CID 134900360

IUPACmethyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@@H]1O[C@H](C)C[C@H]1c1ccccc1
InChIInChI=1S/C15H20O3/c1-10-9-13(12-7-5-4-6-8-12)14(18-10)11(2)15(16)17-3/h4-8,10-11,13-14H,9H2,1-3H3/t10-,11-,13+,14+/m1/s1
InChIKeyOQFSLCYWWZAEAC-RFHZTLPTSA-N
MW248.32 g/mol
LogP2.76
Rot. Bonds3

About methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate

methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate (PubChem CID 134900360) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate
PubChem CID134900360
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namemethyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@@H]1O[C@H](C)C[C@H]1c1ccccc1
InChIInChI=1S/C15H20O3/c1-10-9-13(12-7-5-4-6-8-12)14(18-10)11(2)15(16)17-3/h4-8,10-11,13-14H,9H2,1-3H3/t10-,11-,13+,14+/m1/s1
InChIKeyOQFSLCYWWZAEAC-RFHZTLPTSA-N
XLogP2.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate
CID 25180523
methyl 2-hydroxy-2-[(4S,5R,6S)-6-methyl-4-phenyl-5-propan-2-yloxan-2-yl]acetate
CID 101264188
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
(2S)-2,5-dimethyl-3-phenyloxolane
CID 59883452
methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate
CID 78971251
methyl (2S)-2-[(2S,3R,4R)-4-hydroxy-6-methoxy-3-methyloxan-2-yl]propanoate
CID 102254197
(2S)-2-amino-N-(2-phenylcyclopropyl)propanamide
CID 78977151
2,2-dimethoxy-1-(2-phenylcyclopropyl)ethanone
CID 116517110
methyl (E)-2-methyl-3-[(4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]prop-2-enoate
CID 10989502
methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate
CID 91609014
methyl 2-[(4-phenyl-1,3-dioxetan-2-yl)amino]but-3-enoate
CID 70643586

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate?
The IUPAC name of methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate (CID 134900360) is methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate is COC(=O)[C@H](C)[C@@H]1O[C@H](C)C[C@H]1c1ccccc1.
What is the InChIKey of methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate?
The InChIKey is OQFSLCYWWZAEAC-RFHZTLPTSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-9-13(12-7-5-4-6-8-12)14(18-10)11(2)15(16)17-3/h4-8,10-11,13-14H,9H2,1-3H3/t10-,11-,13+,14+/m1/s1.
What are the key properties of methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate?
methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate has a molecular weight of 248.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate is sourced from PubChem (CID 134900360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).