(3S,4S)-4-(2-methylphenoxy)oxolan-3-ol

C11H14O3 — CID 155905989

IUPAC(3S,4S)-4-(2-methylphenoxy)oxolan-3-ol
SMILESCc1ccccc1O[C@H]1COC[C@@H]1O
InChIInChI=1S/C11H14O3/c1-8-4-2-3-5-10(8)14-11-7-13-6-9(11)12/h2-5,9,11-12H,6-7H2,1H3/t9-,11-/m0/s1
InChIKeyUXLXOVZUMDOFMA-ONGXEEELSA-N
MW194.23 g/mol
LogP1.13
Rot. Bonds2

About (3S,4S)-4-(2-methylphenoxy)oxolan-3-ol

(3S,4S)-4-(2-methylphenoxy)oxolan-3-ol (PubChem CID 155905989) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3S,4S)-4-(2-methylphenoxy)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(2-methylphenoxy)oxolan-3-ol
PubChem CID155905989
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(3S,4S)-4-(2-methylphenoxy)oxolan-3-ol
SMILESCc1ccccc1O[C@H]1COC[C@@H]1O
InChIInChI=1S/C11H14O3/c1-8-4-2-3-5-10(8)14-11-7-13-6-9(11)12/h2-5,9,11-12H,6-7H2,1H3/t9-,11-/m0/s1
InChIKeyUXLXOVZUMDOFMA-ONGXEEELSA-N
XLogP1.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(2-methylphenoxy)oxolan-3-ol?
The IUPAC name of (3S,4S)-4-(2-methylphenoxy)oxolan-3-ol (CID 155905989) is (3S,4S)-4-(2-methylphenoxy)oxolan-3-ol.
What is the SMILES notation for (3S,4S)-4-(2-methylphenoxy)oxolan-3-ol?
The canonical SMILES for (3S,4S)-4-(2-methylphenoxy)oxolan-3-ol is Cc1ccccc1O[C@H]1COC[C@@H]1O.
What is the InChIKey of (3S,4S)-4-(2-methylphenoxy)oxolan-3-ol?
The InChIKey is UXLXOVZUMDOFMA-ONGXEEELSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-4-2-3-5-10(8)14-11-7-13-6-9(11)12/h2-5,9,11-12H,6-7H2,1H3/t9-,11-/m0/s1.
What are the key properties of (3S,4S)-4-(2-methylphenoxy)oxolan-3-ol?
(3S,4S)-4-(2-methylphenoxy)oxolan-3-ol has a molecular weight of 194.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(2-methylphenoxy)oxolan-3-ol is sourced from PubChem (CID 155905989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).