(3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol

C14H20O3 — CID 122658990

IUPAC(3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
SMILESC[C@H]1[C@H](OCc2ccccc2)[C@H](O)CO[C@H]1C
InChIInChI=1S/C14H20O3/c1-10-11(2)16-9-13(15)14(10)17-8-12-6-4-3-5-7-12/h3-7,10-11,13-15H,8-9H2,1-2H3/t10-,11+,13-,14+/m1/s1
InChIKeyWTZAOBZPVFBYSR-WVWOOGAGSA-N
MW236.31 g/mol
LogP1.99
Rot. Bonds3

About (3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol

(3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol (PubChem CID 122658990) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol.

Molecular Properties

Compound Name(3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
PubChem CID122658990
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
SMILESC[C@H]1[C@H](OCc2ccccc2)[C@H](O)CO[C@H]1C
InChIInChI=1S/C14H20O3/c1-10-11(2)16-9-13(15)14(10)17-8-12-6-4-3-5-7-12/h3-7,10-11,13-15H,8-9H2,1-2H3/t10-,11+,13-,14+/m1/s1
InChIKeyWTZAOBZPVFBYSR-WVWOOGAGSA-N
XLogP1.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane
CID 158772730
(2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 144531993
(3S,4R,5S,6S,7S)-7-methoxy-4-methyl-5,6-bis(phenylmethoxy)oxepan-3-ol
CID 58510392
methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate
CID 163625128
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol
CID 123411187
(3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol
CID 10592798
3-phenylmethoxyoxane-2,4,5-triol
CID 19602254
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
(2R,3S,4R,6S)-2-methyl-3,6-bis(phenylmethoxy)oxan-4-ol
CID 14466621
[(3R,4S,6S)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 90698925
[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 76600599

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol?
The IUPAC name of (3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol (CID 122658990) is (3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol.
What is the SMILES notation for (3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol?
The canonical SMILES for (3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol is C[C@H]1[C@H](OCc2ccccc2)[C@H](O)CO[C@H]1C.
What is the InChIKey of (3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol?
The InChIKey is WTZAOBZPVFBYSR-WVWOOGAGSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-11(2)16-9-13(15)14(10)17-8-12-6-4-3-5-7-12/h3-7,10-11,13-15H,8-9H2,1-2H3/t10-,11+,13-,14+/m1/s1.
What are the key properties of (3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol?
(3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol has a molecular weight of 236.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol is sourced from PubChem (CID 122658990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).