(2R,3R,6S)-6-methyl-2,3-diphenyloxane

C18H20O — CID 71654456

IUPAC(2R,3R,6S)-6-methyl-2,3-diphenyloxane
SMILESC[C@H]1CC[C@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C18H20O/c1-14-12-13-17(15-8-4-2-5-9-15)18(19-14)16-10-6-3-7-11-16/h2-11,14,17-18H,12-13H2,1H3/t14-,17+,18-/m0/s1
InChIKeyMXXMTEJQMULMSN-QGTPRVQTSA-N
MW252.36 g/mol
LogP4.71
Rot. Bonds2

About (2R,3R,6S)-6-methyl-2,3-diphenyloxane

(2R,3R,6S)-6-methyl-2,3-diphenyloxane (PubChem CID 71654456) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is (2R,3R,6S)-6-methyl-2,3-diphenyloxane.

Molecular Properties

Compound Name(2R,3R,6S)-6-methyl-2,3-diphenyloxane
PubChem CID71654456
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name(2R,3R,6S)-6-methyl-2,3-diphenyloxane
SMILESC[C@H]1CC[C@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C18H20O/c1-14-12-13-17(15-8-4-2-5-9-15)18(19-14)16-10-6-3-7-11-16/h2-11,14,17-18H,12-13H2,1H3/t14-,17+,18-/m0/s1
InChIKeyMXXMTEJQMULMSN-QGTPRVQTSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,3R,6S)-6-methyl-2,3-diphenyloxane 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

(2S,5S)-2-methyl-5-phenyloxolane
CID 71447018
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
(2S)-2,5-dimethyl-3-phenyloxolane
CID 59883452
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(6R)-1,2,6-trimethyl-3-phenylpiperidine
CID 163219493
(2-methylcyclopentyl)benzene
CID 12600454
(2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane
CID 125472906
[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-6-methyl-2,3-diphenyloxane?
The IUPAC name of (2R,3R,6S)-6-methyl-2,3-diphenyloxane (CID 71654456) is (2R,3R,6S)-6-methyl-2,3-diphenyloxane.
What is the SMILES notation for (2R,3R,6S)-6-methyl-2,3-diphenyloxane?
The canonical SMILES for (2R,3R,6S)-6-methyl-2,3-diphenyloxane is C[C@H]1CC[C@H](c2ccccc2)[C@H](c2ccccc2)O1.
What is the InChIKey of (2R,3R,6S)-6-methyl-2,3-diphenyloxane?
The InChIKey is MXXMTEJQMULMSN-QGTPRVQTSA-N. The full InChI is InChI=1S/C18H20O/c1-14-12-13-17(15-8-4-2-5-9-15)18(19-14)16-10-6-3-7-11-16/h2-11,14,17-18H,12-13H2,1H3/t14-,17+,18-/m0/s1.
What are the key properties of (2R,3R,6S)-6-methyl-2,3-diphenyloxane?
(2R,3R,6S)-6-methyl-2,3-diphenyloxane has a molecular weight of 252.36 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-6-methyl-2,3-diphenyloxane is sourced from PubChem (CID 71654456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).