(3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane

C15H22O2 — CID 158772730

IUPAC(3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane
SMILESCC1OC[C@@H](C)[C@@H](OCc2ccccc2)[C@H]1C
InChIInChI=1S/C15H22O2/c1-11-9-16-13(3)12(2)15(11)17-10-14-7-5-4-6-8-14/h4-8,11-13,15H,9-10H2,1-3H3/t11-,12+,13?,15-/m1/s1
InChIKeyIQBQOYOKBBPCAI-RLCAUIQDSA-N
MW234.34 g/mol
LogP3.26
Rot. Bonds3

About (3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane

(3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane (PubChem CID 158772730) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane.

Molecular Properties

Compound Name(3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane
PubChem CID158772730
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane
SMILESCC1OC[C@@H](C)[C@@H](OCc2ccccc2)[C@H]1C
InChIInChI=1S/C15H22O2/c1-11-9-16-13(3)12(2)15(11)17-10-14-7-5-4-6-8-14/h4-8,11-13,15H,9-10H2,1-3H3/t11-,12+,13?,15-/m1/s1
InChIKeyIQBQOYOKBBPCAI-RLCAUIQDSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane 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

(3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 122658990
(2S,3S,4S,5R,6S)-2-methoxy-5,6-dimethyl-3,4-bis(phenylmethoxy)oxepane
CID 58510389
5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 166975544
(3R,4R,5R)-3,5-dimethyl-4-phenylmethoxyoxan-2-one
CID 158721610
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
(2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 144531993
[(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol
CID 67672097
(3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one
CID 146795417
[(3S,6S,7S,8S,9S)-6,9-dimethyl-2-oxo-7,8-bis(phenylmethoxy)-1,5-dioxonan-3-yl]azanium
CID 140620673
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(8S,8aS)-7-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 173382281
[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 76600599

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane?
The IUPAC name of (3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane (CID 158772730) is (3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane.
What is the SMILES notation for (3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane?
The canonical SMILES for (3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane is CC1OC[C@@H](C)[C@@H](OCc2ccccc2)[C@H]1C.
What is the InChIKey of (3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane?
The InChIKey is IQBQOYOKBBPCAI-RLCAUIQDSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-9-16-13(3)12(2)15(11)17-10-14-7-5-4-6-8-14/h4-8,11-13,15H,9-10H2,1-3H3/t11-,12+,13?,15-/m1/s1.
What are the key properties of (3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane?
(3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane has a molecular weight of 234.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane is sourced from PubChem (CID 158772730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).