(2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol

C11H14O3 — CID 88976580

IUPAC(2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](c2ccccc2)[C@H](O)C1O
InChIInChI=1S/C11H14O3/c1-7-9(12)10(13)11(14-7)8-5-3-2-4-6-8/h2-7,9-13H,1H3/t7-,9?,10+,11+/m0/s1
InChIKeyMTBGDNZDDYTIFW-BSCWKYMNSA-N
MW194.23 g/mol
LogP0.87
Rot. Bonds1

About (2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol

(2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol (PubChem CID 88976580) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol
PubChem CID88976580
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](c2ccccc2)[C@H](O)C1O
InChIInChI=1S/C11H14O3/c1-7-9(12)10(13)11(14-7)8-5-3-2-4-6-8/h2-7,9-13H,1H3/t7-,9?,10+,11+/m0/s1
InChIKeyMTBGDNZDDYTIFW-BSCWKYMNSA-N
XLogP0.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol?
The IUPAC name of (2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol (CID 88976580) is (2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol.
What is the SMILES notation for (2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol?
The canonical SMILES for (2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol is C[C@@H]1O[C@H](c2ccccc2)[C@H](O)C1O.
What is the InChIKey of (2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol?
The InChIKey is MTBGDNZDDYTIFW-BSCWKYMNSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-9(12)10(13)11(14-7)8-5-3-2-4-6-8/h2-7,9-13H,1H3/t7-,9?,10+,11+/m0/s1.
What are the key properties of (2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol?
(2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol has a molecular weight of 194.23 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol is sourced from PubChem (CID 88976580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).