(2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol

C12H16O3 — CID 70795418

IUPAC(2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol
SMILESCC1O[C@H](CO)[C@H](O)C1c1ccccc1
InChIInChI=1S/C12H16O3/c1-8-11(9-5-3-2-4-6-9)12(14)10(7-13)15-8/h2-6,8,10-14H,7H2,1H3/t8?,10-,11?,12+/m1/s1
InChIKeyFXYLOYXSRORQIR-VXJRZWNLSA-N
MW208.26 g/mol
LogP0.91
Rot. Bonds2

About (2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol

(2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol (PubChem CID 70795418) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol
PubChem CID70795418
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol
SMILESCC1O[C@H](CO)[C@H](O)C1c1ccccc1
InChIInChI=1S/C12H16O3/c1-8-11(9-5-3-2-4-6-9)12(14)10(7-13)15-8/h2-6,8,10-14H,7H2,1H3/t8?,10-,11?,12+/m1/s1
InChIKeyFXYLOYXSRORQIR-VXJRZWNLSA-N
XLogP0.91
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,5R,6S,7S,7aS)-5-(hydroxymethyl)-2,2-dimethyl-7-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-ol
CID 10564691
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
2-methyl-3-phenylcyclopropan-1-ol
CID 100919927
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 121426281
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol?
The IUPAC name of (2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol (CID 70795418) is (2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol.
What is the SMILES notation for (2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol?
The canonical SMILES for (2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol is CC1O[C@H](CO)[C@H](O)C1c1ccccc1.
What is the InChIKey of (2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol?
The InChIKey is FXYLOYXSRORQIR-VXJRZWNLSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-11(9-5-3-2-4-6-9)12(14)10(7-13)15-8/h2-6,8,10-14H,7H2,1H3/t8?,10-,11?,12+/m1/s1.
What are the key properties of (2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol?
(2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol has a molecular weight of 208.26 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol is sourced from PubChem (CID 70795418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).