(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane

C21H26O3 — CID 71106611

IUPAC(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
SMILESCC1C[C@@H](OCc2ccccc2)C[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C21H26O3/c1-17-12-20(23-15-19-10-6-3-7-11-19)13-21(24-17)16-22-14-18-8-4-2-5-9-18/h2-11,17,20-21H,12-16H2,1H3/t17?,20-,21+/m1/s1
InChIKeyQBDHBLAHIIUDSS-SJRAPUSDSA-N
MW326.44 g/mol
LogP4.36
Rot. Bonds7

About (4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane

(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane (PubChem CID 71106611) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is (4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
PubChem CID71106611
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
SMILESCC1C[C@@H](OCc2ccccc2)C[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C21H26O3/c1-17-12-20(23-15-19-10-6-3-7-11-19)13-21(24-17)16-22-14-18-8-4-2-5-9-18/h2-11,17,20-21H,12-16H2,1H3/t17?,20-,21+/m1/s1
InChIKeyQBDHBLAHIIUDSS-SJRAPUSDSA-N
XLogP4.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
CID 146358765
6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol
CID 137482941
(6R)-2-methyl-6-(phenylmethoxymethyl)morpholine
CID 68662666
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane
CID 71070891
(2S,4S)-2-methyl-4-phenylmethoxyoxolane
CID 25180326
(2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11037694
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
4-methyl-7-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-dihydrochromen-2-one
CID 145332173
(3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 130316791
3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide
CID 91431609

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane (CID 71106611) is (4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane is CC1C[C@@H](OCc2ccccc2)C[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane?
The InChIKey is QBDHBLAHIIUDSS-SJRAPUSDSA-N. The full InChI is InChI=1S/C21H26O3/c1-17-12-20(23-15-19-10-6-3-7-11-19)13-21(24-17)16-22-14-18-8-4-2-5-9-18/h2-11,17,20-21H,12-16H2,1H3/t17?,20-,21+/m1/s1.
What are the key properties of (4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane?
(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane has a molecular weight of 326.44 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 71106611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).