(R)-phenyl-[(1R,5S,6R)-3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]methanol

C13H14O4 — CID 10561656

IUPAC(R)-phenyl-[(1R,5S,6R)-3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]methanol
SMILESO[C@@H](c1ccccc1)[C@H]1C2OC2[C@H]2CO[C@@H]1O2
InChIInChI=1S/C13H14O4/c14-10(7-4-2-1-3-5-7)9-12-11(17-12)8-6-15-13(9)16-8/h1-5,8-14H,6H2/t8-,9+,10+,11?,12?,13-/m1/s1
InChIKeyCRNLWZRXRNJXHZ-STJKIXCVSA-N
MW234.25 g/mol
LogP0.86
Rot. Bonds2

About (R)-phenyl-[(1R,5S,6R)-3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]methanol

(R)-phenyl-[(1R,5S,6R)-3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]methanol (PubChem CID 10561656) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is (R)-phenyl-[(1R,5S,6R)-3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]methanol.

Molecular Properties

Compound Name(R)-phenyl-[(1R,5S,6R)-3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]methanol
PubChem CID10561656
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name(R)-phenyl-[(1R,5S,6R)-3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]methanol
SMILESO[C@@H](c1ccccc1)[C@H]1C2OC2[C@H]2CO[C@@H]1O2
InChIInChI=1S/C13H14O4/c14-10(7-4-2-1-3-5-7)9-12-11(17-12)8-6-15-13(9)16-8/h1-5,8-14H,6H2/t8-,9+,10+,11?,12?,13-/m1/s1
InChIKeyCRNLWZRXRNJXHZ-STJKIXCVSA-N
XLogP0.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (R)-phenyl-[(1R,5S,6R)-3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol
CID 102280064
(1S,2S,4S,5R,6R)-5-[azido(phenyl)methoxy]-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 23232167
4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
CID 4094030
1,4-dioxan-2-yl(phenyl)methanol
CID 62803674
(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
CID 15481441
(2R,4R,6R)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 88623037
(1S,2S,4S,6S)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 170910139
5-trityloxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 140567587
(1R,2S,3S,4R,5R)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 12905001
(1S,2R,3S,4R,5R)-3-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 99123038
(1R,2R,4R,5S,6R)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 10900554
(1R,2R,4R,5R,6S)-3,8,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol
CID 98289950

Frequently Asked Questions

What is the IUPAC name of (R)-phenyl-[(1R,5S,6R)-3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]methanol?
The IUPAC name of (R)-phenyl-[(1R,5S,6R)-3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]methanol (CID 10561656) is (R)-phenyl-[(1R,5S,6R)-3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]methanol.
What is the SMILES notation for (R)-phenyl-[(1R,5S,6R)-3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]methanol?
The canonical SMILES for (R)-phenyl-[(1R,5S,6R)-3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]methanol is O[C@@H](c1ccccc1)[C@H]1C2OC2[C@H]2CO[C@@H]1O2.
What is the InChIKey of (R)-phenyl-[(1R,5S,6R)-3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]methanol?
The InChIKey is CRNLWZRXRNJXHZ-STJKIXCVSA-N. The full InChI is InChI=1S/C13H14O4/c14-10(7-4-2-1-3-5-7)9-12-11(17-12)8-6-15-13(9)16-8/h1-5,8-14H,6H2/t8-,9+,10+,11?,12?,13-/m1/s1.
What are the key properties of (R)-phenyl-[(1R,5S,6R)-3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]methanol?
(R)-phenyl-[(1R,5S,6R)-3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]methanol has a molecular weight of 234.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-phenyl-[(1R,5S,6R)-3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]methanol is sourced from PubChem (CID 10561656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).