(1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol

C14H18O3 — CID 122403458

IUPAC(1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol
SMILESO[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]1O2
InChIInChI=1S/C14H18O3/c15-13-7-12-6-11(8-14(13)17-12)16-9-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2/t11-,12+,13+,14-/m1/s1
InChIKeyHYUOGTHALJRGNA-ZOBORPQBSA-N
MW234.30 g/mol
LogP1.88
Rot. Bonds3

About (1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol

(1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol (PubChem CID 122403458) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol.

Molecular Properties

Compound Name(1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol
PubChem CID122403458
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol
SMILESO[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]1O2
InChIInChI=1S/C14H18O3/c15-13-7-12-6-11(8-14(13)17-12)16-9-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2/t11-,12+,13+,14-/m1/s1
InChIKeyHYUOGTHALJRGNA-ZOBORPQBSA-N
XLogP1.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol with MolForge

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Related Compounds

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CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol
CID 67957108
(1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 91005929
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
(6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
CID 146358765
(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol
CID 131023997
3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790
(5S)-5-phenylmethoxyoxan-2-ol
CID 138637450
(3aS,5S,6aR)-3-bromo-5-phenylmethoxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
CID 58134892

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol?
The IUPAC name of (1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol (CID 122403458) is (1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol.
What is the SMILES notation for (1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol?
The canonical SMILES for (1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol is O[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]1O2.
What is the InChIKey of (1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol?
The InChIKey is HYUOGTHALJRGNA-ZOBORPQBSA-N. The full InChI is InChI=1S/C14H18O3/c15-13-7-12-6-11(8-14(13)17-12)16-9-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2/t11-,12+,13+,14-/m1/s1.
What are the key properties of (1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol?
(1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol has a molecular weight of 234.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol is sourced from PubChem (CID 122403458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).