(2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol

C11H14O2 — CID 130920611

IUPAC(2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol
SMILESC[C@H]1C[C@H](O)O[C@H]1c1ccccc1
InChIInChI=1S/C11H14O2/c1-8-7-10(12)13-11(8)9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8-,10+,11+/m0/s1
InChIKeyHWPJGTCCHRUBAS-JMJZKYOTSA-N
MW178.23 g/mol
LogP2.10
Rot. Bonds1

About (2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol

(2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol (PubChem CID 130920611) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol.

Molecular Properties

Compound Name(2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol
PubChem CID130920611
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol
SMILESC[C@H]1C[C@H](O)O[C@H]1c1ccccc1
InChIInChI=1S/C11H14O2/c1-8-7-10(12)13-11(8)9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8-,10+,11+/m0/s1
InChIKeyHWPJGTCCHRUBAS-JMJZKYOTSA-N
XLogP2.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol?
The IUPAC name of (2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol (CID 130920611) is (2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol.
What is the SMILES notation for (2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol?
The canonical SMILES for (2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol is C[C@H]1C[C@H](O)O[C@H]1c1ccccc1.
What is the InChIKey of (2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol?
The InChIKey is HWPJGTCCHRUBAS-JMJZKYOTSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-7-10(12)13-11(8)9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8-,10+,11+/m0/s1.
What are the key properties of (2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol?
(2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol has a molecular weight of 178.23 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol is sourced from PubChem (CID 130920611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).