(3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol

C12H14O3 — CID 11275756

IUPAC(3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
SMILESO[C@H]1C=C[C@H](OCc2ccccc2)OC1
InChIInChI=1S/C12H14O3/c13-11-6-7-12(15-9-11)14-8-10-4-2-1-3-5-10/h1-7,11-13H,8-9H2/t11-,12+/m0/s1
InChIKeyRTCUYMOZAGDJBR-NWDGAFQWSA-N
MW206.24 g/mol
LogP1.48
Rot. Bonds3

About (3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol

(3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 11275756) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID11275756
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
SMILESO[C@H]1C=C[C@H](OCc2ccccc2)OC1
InChIInChI=1S/C12H14O3/c13-11-6-7-12(15-9-11)14-8-10-4-2-1-3-5-10/h1-7,11-13H,8-9H2/t11-,12+/m0/s1
InChIKeyRTCUYMOZAGDJBR-NWDGAFQWSA-N
XLogP1.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran
CID 10846804
(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11253449
(2R,3S,4R,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11564962
(2S,3R,6R)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 71403552
(3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol
CID 15489662
(2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 102291658
3-phenylmethoxyoxane-2,4,5-triol
CID 19602254
(5S)-5-phenylmethoxyoxan-2-ol
CID 138637450
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(4aR,6S,8aS)-2-phenyl-6-phenylmethoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine
CID 51063373

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol (CID 11275756) is (3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol is O[C@H]1C=C[C@H](OCc2ccccc2)OC1.
What is the InChIKey of (3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is RTCUYMOZAGDJBR-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H14O3/c13-11-6-7-12(15-9-11)14-8-10-4-2-1-3-5-10/h1-7,11-13H,8-9H2/t11-,12+/m0/s1.
What are the key properties of (3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol?
(3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 206.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 11275756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).