2-(4-bromophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane

C18H19BrO2 — CID 121332457

IUPAC2-(4-bromophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane
SMILESCC1(C)COC(c2ccccc2)(c2ccc(Br)cc2)OC1
InChIInChI=1S/C18H19BrO2/c1-17(2)12-20-18(21-13-17,14-6-4-3-5-7-14)15-8-10-16(19)11-9-15/h3-11H,12-13H2,1-2H3
InChIKeyOCGARTIEUPVRDW-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.72
Rot. Bonds2

About 2-(4-bromophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane

2-(4-bromophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane (PubChem CID 121332457) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane.

Molecular Properties

Compound Name2-(4-bromophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane
PubChem CID121332457
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name2-(4-bromophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane
SMILESCC1(C)COC(c2ccccc2)(c2ccc(Br)cc2)OC1
InChIInChI=1S/C18H19BrO2/c1-17(2)12-20-18(21-13-17,14-6-4-3-5-7-14)15-8-10-16(19)11-9-15/h3-11H,12-13H2,1-2H3
InChIKeyOCGARTIEUPVRDW-UHFFFAOYSA-N
XLogP4.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Orthobenzoic acid, p-bromo-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol
CID 175731
2-(4-Bromophenyl)-2-methyl-1,3-dioxolane
CID 614920
1-((Benzyloxy)methyl)-4-bromobenzene
CID 11254408
Orthobenzoic acid, p-bromo-, cyclic ester with 2-cyclohexyl-2-(hydroxymethyl)-1,3-propanediol
CID 175732
1-Bromo-4-(diethoxymethyl)benzene
CID 688340
Diethoxydiphenylmethane
CID 11780130
3'-Bromoacetophenone diethyl ketal
CID 73995132
1-Bromo-4-(1-methoxycyclohexyl)benzene
CID 68402620
(8R,9R)-9-(4-bromophenyl)-8-[1-(4-bromophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 71527114
(3R,4R)-4-(4-bromophenyl)-3-[1-(4-bromophenyl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane
CID 71527234
2-Phenyl-3-(4-bromophenyl)-oxirane
CID 560688
2-[(4-Bromophenyl)methoxy]oxane
CID 598168

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane?
The IUPAC name of 2-(4-bromophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane (CID 121332457) is 2-(4-bromophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane.
What is the SMILES notation for 2-(4-bromophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane?
The canonical SMILES for 2-(4-bromophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane is CC1(C)COC(c2ccccc2)(c2ccc(Br)cc2)OC1.
What is the InChIKey of 2-(4-bromophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane?
The InChIKey is OCGARTIEUPVRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c1-17(2)12-20-18(21-13-17,14-6-4-3-5-7-14)15-8-10-16(19)11-9-15/h3-11H,12-13H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane?
2-(4-bromophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane has a molecular weight of 347.25 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane is sourced from PubChem (CID 121332457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).