(2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol

C14H20O3 — CID 101454315

IUPAC(2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol
SMILESCO[C@@H]1O[C@H](c2ccccc2)[C@H](C)[C@@H](O)[C@H]1C
InChIInChI=1S/C14H20O3/c1-9-12(15)10(2)14(16-3)17-13(9)11-7-5-4-6-8-11/h4-10,12-15H,1-3H3/t9-,10-,12-,13+,14-/m1/s1
InChIKeyPCERNZHAUVOVSL-NBUWXKEQSA-N
MW236.31 g/mol
LogP2.36
Rot. Bonds2

About (2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol

(2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol (PubChem CID 101454315) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol
PubChem CID101454315
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol
SMILESCO[C@@H]1O[C@H](c2ccccc2)[C@H](C)[C@@H](O)[C@H]1C
InChIInChI=1S/C14H20O3/c1-9-12(15)10(2)14(16-3)17-13(9)11-7-5-4-6-8-11/h4-10,12-15H,1-3H3/t9-,10-,12-,13+,14-/m1/s1
InChIKeyPCERNZHAUVOVSL-NBUWXKEQSA-N
XLogP2.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol with MolForge

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Related Compounds

(6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 59932091
(3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol
CID 21122764
(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 10938882
(2R,3R,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethyloxan-4-ol
CID 139065834
(2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol
CID 88976580
(2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol
CID 102589589
(2R,4aR,6S,7S,8S,8aS)-6-methoxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 101203467
(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol
CID 130891159
2-methyl-3-phenylcyclopropan-1-ol
CID 100919927
(1R,3R,4R,5R,6R)-3-methoxy-7-phenyl-2-oxabicyclo[4.2.0]octane-4,5,6,8-tetrol
CID 70150898
(2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol
CID 130920611
(2R)-2-methyl-3-phenyloxirane
CID 12040001

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol?
The IUPAC name of (2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol (CID 101454315) is (2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol.
What is the SMILES notation for (2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol?
The canonical SMILES for (2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol is CO[C@@H]1O[C@H](c2ccccc2)[C@H](C)[C@@H](O)[C@H]1C.
What is the InChIKey of (2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol?
The InChIKey is PCERNZHAUVOVSL-NBUWXKEQSA-N. The full InChI is InChI=1S/C14H20O3/c1-9-12(15)10(2)14(16-3)17-13(9)11-7-5-4-6-8-11/h4-10,12-15H,1-3H3/t9-,10-,12-,13+,14-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol?
(2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol has a molecular weight of 236.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol is sourced from PubChem (CID 101454315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).