(4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol

C15H22O3 — CID 159970118

IUPAC(4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol
SMILESC[C@@H]1CC(O)OC(COCc2ccccc2)[C@@H]1C
InChIInChI=1S/C15H22O3/c1-11-8-15(16)18-14(12(11)2)10-17-9-13-6-4-3-5-7-13/h3-7,11-12,14-16H,8-10H2,1-2H3/t11-,12-,14?,15?/m1/s1
InChIKeyWUPWTRKCKQAMLH-HGWMRPEMSA-N
MW250.34 g/mol
LogP2.58
Rot. Bonds4

About (4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol

(4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol (PubChem CID 159970118) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol.

Molecular Properties

Compound Name(4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol
PubChem CID159970118
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol
SMILESC[C@@H]1CC(O)OC(COCc2ccccc2)[C@@H]1C
InChIInChI=1S/C15H22O3/c1-11-8-15(16)18-14(12(11)2)10-17-9-13-6-4-3-5-7-13/h3-7,11-12,14-16H,8-10H2,1-2H3/t11-,12-,14?,15?/m1/s1
InChIKeyWUPWTRKCKQAMLH-HGWMRPEMSA-N
XLogP2.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
(3S,4S,6S)-4,6-dimethyl-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 126550257
6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol
CID 137482941
2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71099139
(2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
CID 91212823
(2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11092535
(3S,4S,6R)-5-methyl-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxan-3-ol
CID 91341625
(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 14374475
(2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 10828905
(2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane
CID 167640329
[6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate
CID 58326011

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol?
The IUPAC name of (4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol (CID 159970118) is (4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol.
What is the SMILES notation for (4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol?
The canonical SMILES for (4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol is C[C@@H]1CC(O)OC(COCc2ccccc2)[C@@H]1C.
What is the InChIKey of (4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol?
The InChIKey is WUPWTRKCKQAMLH-HGWMRPEMSA-N. The full InChI is InChI=1S/C15H22O3/c1-11-8-15(16)18-14(12(11)2)10-17-9-13-6-4-3-5-7-13/h3-7,11-12,14-16H,8-10H2,1-2H3/t11-,12-,14?,15?/m1/s1.
What are the key properties of (4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol?
(4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol is sourced from PubChem (CID 159970118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).