(2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane

C13H16Cl2O2 — CID 130474408

IUPAC(2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane
SMILESC[C@H]1CC[C@@H](COCc2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C13H16Cl2O2/c1-9-2-5-12(17-9)8-16-7-10-3-4-11(14)6-13(10)15/h3-4,6,9,12H,2,5,7-8H2,1H3/t9-,12-/m0/s1
InChIKeyYFMABSATRKVUGD-CABZTGNLSA-N
MW275.17 g/mol
LogP4.08
Rot. Bonds4

About (2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane

(2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane (PubChem CID 130474408) has the molecular formula C13H16Cl2O2 and a molecular weight of 275.17 g/mol. Its IUPAC name is (2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane.

Molecular Properties

Compound Name(2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane
PubChem CID130474408
Molecular FormulaC13H16Cl2O2
Molecular Weight275.17 g/mol
Exact Mass274.05
IUPAC Name(2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane
SMILESC[C@H]1CC[C@@H](COCc2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C13H16Cl2O2/c1-9-2-5-12(17-9)8-16-7-10-3-4-11(14)6-13(10)15/h3-4,6,9,12H,2,5,7-8H2,1H3/t9-,12-/m0/s1
InChIKeyYFMABSATRKVUGD-CABZTGNLSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane 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

2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine
CID 106864801
2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol
CID 90882234
[2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine
CID 103132539
(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine
CID 35754068
3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide
CID 102668905
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135137
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136586
(2S,6S)-4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholin-4-ium
CID 6937797
2,4-dichloro-1-(propoxymethyl)benzene
CID 527851
1-[(2,4-dichlorophenyl)methoxy]propan-2-amine
CID 82475739
2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115840073
2,4-dichloro-1-(2-methylbutoxymethyl)benzene
CID 91723382

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane?
The IUPAC name of (2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane (CID 130474408) is (2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane.
What is the SMILES notation for (2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane?
The canonical SMILES for (2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane is C[C@H]1CC[C@@H](COCc2ccc(Cl)cc2Cl)O1.
What is the InChIKey of (2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane?
The InChIKey is YFMABSATRKVUGD-CABZTGNLSA-N. The full InChI is InChI=1S/C13H16Cl2O2/c1-9-2-5-12(17-9)8-16-7-10-3-4-11(14)6-13(10)15/h3-4,6,9,12H,2,5,7-8H2,1H3/t9-,12-/m0/s1.
What are the key properties of (2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane?
(2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane has a molecular weight of 275.17 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane is sourced from PubChem (CID 130474408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).