(5S)-5-phenylmethoxyoxan-2-ol

C12H16O3 — CID 138637450

IUPAC(5S)-5-phenylmethoxyoxan-2-ol
SMILESOC1CC[C@H](OCc2ccccc2)CO1
InChIInChI=1S/C12H16O3/c13-12-7-6-11(9-15-12)14-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2/t11-,12?/m0/s1
InChIKeyZUSHWVRNPLFEMZ-PXYINDEMSA-N
MW208.26 g/mol
LogP1.70
Rot. Bonds3

About (5S)-5-phenylmethoxyoxan-2-ol

(5S)-5-phenylmethoxyoxan-2-ol (PubChem CID 138637450) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (5S)-5-phenylmethoxyoxan-2-ol.

Molecular Properties

Compound Name(5S)-5-phenylmethoxyoxan-2-ol
PubChem CID138637450
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(5S)-5-phenylmethoxyoxan-2-ol
SMILESOC1CC[C@H](OCc2ccccc2)CO1
InChIInChI=1S/C12H16O3/c13-12-7-6-11(9-15-12)14-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2/t11-,12?/m0/s1
InChIKeyZUSHWVRNPLFEMZ-PXYINDEMSA-N
XLogP1.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5R)-5-phenylmethoxyoxan-2-yl] acetate
CID 102211258
(2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane
CID 102030081
azane;cyclopentyloxymethylbenzene
CID 69411306
(2S,4S)-2-methyl-4-phenylmethoxyoxolane
CID 25180326
4-phenylmethoxyoxane
CID 66554133
3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11253449
(2R,3S,4R,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11564962
(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723
3-phenylmethoxyoxane-2,4,5-triol
CID 19602254
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790
(1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol
CID 14666183

Frequently Asked Questions

What is the IUPAC name of (5S)-5-phenylmethoxyoxan-2-ol?
The IUPAC name of (5S)-5-phenylmethoxyoxan-2-ol (CID 138637450) is (5S)-5-phenylmethoxyoxan-2-ol.
What is the SMILES notation for (5S)-5-phenylmethoxyoxan-2-ol?
The canonical SMILES for (5S)-5-phenylmethoxyoxan-2-ol is OC1CC[C@H](OCc2ccccc2)CO1.
What is the InChIKey of (5S)-5-phenylmethoxyoxan-2-ol?
The InChIKey is ZUSHWVRNPLFEMZ-PXYINDEMSA-N. The full InChI is InChI=1S/C12H16O3/c13-12-7-6-11(9-15-12)14-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2/t11-,12?/m0/s1.
What are the key properties of (5S)-5-phenylmethoxyoxan-2-ol?
(5S)-5-phenylmethoxyoxan-2-ol has a molecular weight of 208.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-phenylmethoxyoxan-2-ol is sourced from PubChem (CID 138637450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).