(6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol

C20H24O4 — CID 146358765

IUPAC(6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
SMILESOC1CC(OCc2ccccc2)C[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C20H24O4/c21-20-12-18(23-14-17-9-5-2-6-10-17)11-19(24-20)15-22-13-16-7-3-1-4-8-16/h1-10,18-21H,11-15H2/t18?,19-,20?/m0/s1
InChIKeyRZDCBXKQJAGIIO-GPJFCIFZSA-N
MW328.41 g/mol
LogP3.29
Rot. Bonds7

About (6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol

(6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol (PubChem CID 146358765) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol.

Molecular Properties

Compound Name(6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
PubChem CID146358765
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
SMILESOC1CC(OCc2ccccc2)C[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C20H24O4/c21-20-12-18(23-14-17-9-5-2-6-10-17)11-19(24-20)15-22-13-16-7-3-1-4-8-16/h1-10,18-21H,11-15H2/t18?,19-,20?/m0/s1
InChIKeyRZDCBXKQJAGIIO-GPJFCIFZSA-N
XLogP3.29
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71106611
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
CID 14139647
6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol
CID 137482941
4-amino-5-phenylmethoxyoxolan-2-ol
CID 163839352
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 123970736
(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol
CID 90477385

Frequently Asked Questions

What is the IUPAC name of (6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol?
The IUPAC name of (6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol (CID 146358765) is (6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol.
What is the SMILES notation for (6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol?
The canonical SMILES for (6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol is OC1CC(OCc2ccccc2)C[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol?
The InChIKey is RZDCBXKQJAGIIO-GPJFCIFZSA-N. The full InChI is InChI=1S/C20H24O4/c21-20-12-18(23-14-17-9-5-2-6-10-17)11-19(24-20)15-22-13-16-7-3-1-4-8-16/h1-10,18-21H,11-15H2/t18?,19-,20?/m0/s1.
What are the key properties of (6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol?
(6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol has a molecular weight of 328.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol is sourced from PubChem (CID 146358765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).