(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol

C12H16O2 — CID 134981811

IUPAC(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
SMILESC[C@H]1C[C@H](O)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C12H16O2/c1-9-7-11(13)8-12(14-9)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3/t9-,11-,12-/m0/s1
InChIKeyQCOGSGXAKPVMRI-DLOVCJGASA-N
MW192.26 g/mol
LogP2.29
Rot. Bonds1

About (2S,4S,6S)-2-methyl-6-phenyloxan-4-ol

(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol (PubChem CID 134981811) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S,4S,6S)-2-methyl-6-phenyloxan-4-ol.

Molecular Properties

Compound Name(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
PubChem CID134981811
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
SMILESC[C@H]1C[C@H](O)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C12H16O2/c1-9-7-11(13)8-12(14-9)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3/t9-,11-,12-/m0/s1
InChIKeyQCOGSGXAKPVMRI-DLOVCJGASA-N
XLogP2.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4S,6S)-2-methyl-6-phenyloxan-4-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,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol
CID 142057807
(2S,5S)-2-methyl-5-phenyloxolane
CID 71447018
(2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol
CID 101086395
(3S,5R)-5-phenyloxolan-3-ol
CID 97052112
(2S)-2-methyl-6-phenyl-1,4-dioxane
CID 130461475
(2S)-2,5-dimethyl-3-phenyloxolane
CID 59883452
[(4S,6S)-4-hydroxy-6-phenyloxan-2-yl] acetate
CID 134833790
(2S,4S)-2-phenyloxan-4-ol
CID 67658519
(2S,6S)-2-methyl-6-phenylmorpholine
CID 36689632
(2R,4S,6R)-2-(furan-2-yl)-6-phenyloxan-4-ol
CID 44519098
(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol
CID 101086399
2-methyl-6-phenylmethoxyoxan-4-ol
CID 162749545

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2-methyl-6-phenyloxan-4-ol?
The IUPAC name of (2S,4S,6S)-2-methyl-6-phenyloxan-4-ol (CID 134981811) is (2S,4S,6S)-2-methyl-6-phenyloxan-4-ol.
What is the SMILES notation for (2S,4S,6S)-2-methyl-6-phenyloxan-4-ol?
The canonical SMILES for (2S,4S,6S)-2-methyl-6-phenyloxan-4-ol is C[C@H]1C[C@H](O)C[C@@H](c2ccccc2)O1.
What is the InChIKey of (2S,4S,6S)-2-methyl-6-phenyloxan-4-ol?
The InChIKey is QCOGSGXAKPVMRI-DLOVCJGASA-N. The full InChI is InChI=1S/C12H16O2/c1-9-7-11(13)8-12(14-9)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3/t9-,11-,12-/m0/s1.
What are the key properties of (2S,4S,6S)-2-methyl-6-phenyloxan-4-ol?
(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol has a molecular weight of 192.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-2-methyl-6-phenyloxan-4-ol is sourced from PubChem (CID 134981811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).