[(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol

C17H26O3 — CID 11140431

IUPAC[(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol
SMILESC[C@H](COCc1ccccc1)[C@@H]1CC[C@H](C)[C@@H](CO)O1
InChIInChI=1S/C17H26O3/c1-13-8-9-16(20-17(13)10-18)14(2)11-19-12-15-6-4-3-5-7-15/h3-7,13-14,16-18H,8-12H2,1-2H3/t13-,14+,16-,17+/m0/s1
InChIKeyVFAUAJRLFZHMBC-HDEZJCGLSA-N
MW278.39 g/mol
LogP3.02
Rot. Bonds6

About [(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol

[(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol (PubChem CID 11140431) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is [(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol
PubChem CID11140431
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name[(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol
SMILESC[C@H](COCc1ccccc1)[C@@H]1CC[C@H](C)[C@@H](CO)O1
InChIInChI=1S/C17H26O3/c1-13-8-9-16(20-17(13)10-18)14(2)11-19-12-15-6-4-3-5-7-15/h3-7,13-14,16-18H,8-12H2,1-2H3/t13-,14+,16-,17+/m0/s1
InChIKeyVFAUAJRLFZHMBC-HDEZJCGLSA-N
XLogP3.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol?
The IUPAC name of [(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol (CID 11140431) is [(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol?
The canonical SMILES for [(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol is C[C@H](COCc1ccccc1)[C@@H]1CC[C@H](C)[C@@H](CO)O1.
What is the InChIKey of [(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol?
The InChIKey is VFAUAJRLFZHMBC-HDEZJCGLSA-N. The full InChI is InChI=1S/C17H26O3/c1-13-8-9-16(20-17(13)10-18)14(2)11-19-12-15-6-4-3-5-7-15/h3-7,13-14,16-18H,8-12H2,1-2H3/t13-,14+,16-,17+/m0/s1.
What are the key properties of [(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol?
[(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol has a molecular weight of 278.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol is sourced from PubChem (CID 11140431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).