2-(2,4-dimethyl-6-phenylphenoxy)oxane

C19H22O2 — CID 159035357

IUPAC2-(2,4-dimethyl-6-phenylphenoxy)oxane
SMILESCc1cc(C)c(OC2CCCCO2)c(-c2ccccc2)c1
InChIInChI=1S/C19H22O2/c1-14-12-15(2)19(21-18-10-6-7-11-20-18)17(13-14)16-8-4-3-5-9-16/h3-5,8-9,12-13,18H,6-7,10-11H2,1-2H3
InChIKeyVLWCNXUEQFQVCB-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.88
Rot. Bonds3

About 2-(2,4-dimethyl-6-phenylphenoxy)oxane

2-(2,4-dimethyl-6-phenylphenoxy)oxane (PubChem CID 159035357) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-phenylphenoxy)oxane.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-phenylphenoxy)oxane
PubChem CID159035357
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-(2,4-dimethyl-6-phenylphenoxy)oxane
SMILESCc1cc(C)c(OC2CCCCO2)c(-c2ccccc2)c1
InChIInChI=1S/C19H22O2/c1-14-12-15(2)19(21-18-10-6-7-11-20-18)17(13-14)16-8-4-3-5-9-16/h3-5,8-9,12-13,18H,6-7,10-11H2,1-2H3
InChIKeyVLWCNXUEQFQVCB-UHFFFAOYSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dimethyl-6-phenylphenoxy)oxane 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-[3-(3,5-diphenylphenyl)-5-methyl-2-(oxan-2-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 158103270
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
bis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane
CID 102412144
2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane
CID 121367963
2-(3,4-dimethylphenoxy)oxane
CID 10987441
2-(2,5-dimethylphenoxy)oxane
CID 15305690
[3-iodo-5-methyl-4-(oxan-2-yloxy)phenyl]methanol
CID 176847894
2-phenoxyoxolane
CID 11030163
(2S)-2-phenoxyoxolane
CID 86339377
(2R)-2-phenoxyoxolane
CID 86339376
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one
CID 86651374

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-phenylphenoxy)oxane?
The IUPAC name of 2-(2,4-dimethyl-6-phenylphenoxy)oxane (CID 159035357) is 2-(2,4-dimethyl-6-phenylphenoxy)oxane.
What is the SMILES notation for 2-(2,4-dimethyl-6-phenylphenoxy)oxane?
The canonical SMILES for 2-(2,4-dimethyl-6-phenylphenoxy)oxane is Cc1cc(C)c(OC2CCCCO2)c(-c2ccccc2)c1.
What is the InChIKey of 2-(2,4-dimethyl-6-phenylphenoxy)oxane?
The InChIKey is VLWCNXUEQFQVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14-12-15(2)19(21-18-10-6-7-11-20-18)17(13-14)16-8-4-3-5-9-16/h3-5,8-9,12-13,18H,6-7,10-11H2,1-2H3.
What are the key properties of 2-(2,4-dimethyl-6-phenylphenoxy)oxane?
2-(2,4-dimethyl-6-phenylphenoxy)oxane has a molecular weight of 282.38 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-phenylphenoxy)oxane is sourced from PubChem (CID 159035357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).