2,5-dimethyl-3,6-diphenyl-1,4-dioxine

C18H16O2 — CID 86144116

IUPAC2,5-dimethyl-3,6-diphenyl-1,4-dioxine
SMILESCC1=C(c2ccccc2)OC(C)=C(c2ccccc2)O1
InChIInChI=1S/C18H16O2/c1-13-17(15-9-5-3-6-10-15)20-14(2)18(19-13)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKeyLMESKVJKEFLHPN-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.81
Rot. Bonds2

About 2,5-dimethyl-3,6-diphenyl-1,4-dioxine

2,5-dimethyl-3,6-diphenyl-1,4-dioxine (PubChem CID 86144116) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2,5-dimethyl-3,6-diphenyl-1,4-dioxine.

Molecular Properties

Compound Name2,5-dimethyl-3,6-diphenyl-1,4-dioxine
PubChem CID86144116
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2,5-dimethyl-3,6-diphenyl-1,4-dioxine
SMILESCC1=C(c2ccccc2)OC(C)=C(c2ccccc2)O1
InChIInChI=1S/C18H16O2/c1-13-17(15-9-5-3-6-10-15)20-14(2)18(19-13)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKeyLMESKVJKEFLHPN-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-3,6-diphenyl-1,4-dioxine 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

benzene;1,1'-biphenyl;ethane
CID 158550617
4-methyl-5-phenyl-1,3,2-dioxathiole 2-oxide
CID 139915920
1,1'-biphenyl;toluene
CID 18366440
benzene;tris(1,1'-biphenyl)
CID 162155747
(4-methyl-2,6-diphenylphenyl)stibane
CID 173432730
N,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine
CID 23418265
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
1-(cyclodecapentaenyl)-5-methylcyclodeca-1,3,5,7,9-pentaene
CID 123859615

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,6-diphenyl-1,4-dioxine?
The IUPAC name of 2,5-dimethyl-3,6-diphenyl-1,4-dioxine (CID 86144116) is 2,5-dimethyl-3,6-diphenyl-1,4-dioxine.
What is the SMILES notation for 2,5-dimethyl-3,6-diphenyl-1,4-dioxine?
The canonical SMILES for 2,5-dimethyl-3,6-diphenyl-1,4-dioxine is CC1=C(c2ccccc2)OC(C)=C(c2ccccc2)O1.
What is the InChIKey of 2,5-dimethyl-3,6-diphenyl-1,4-dioxine?
The InChIKey is LMESKVJKEFLHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-13-17(15-9-5-3-6-10-15)20-14(2)18(19-13)16-11-7-4-8-12-16/h3-12H,1-2H3.
What are the key properties of 2,5-dimethyl-3,6-diphenyl-1,4-dioxine?
2,5-dimethyl-3,6-diphenyl-1,4-dioxine has a molecular weight of 264.32 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,6-diphenyl-1,4-dioxine is sourced from PubChem (CID 86144116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).