2-(4-methylphenyl)-2-phenyl-1,4-dioxane

C17H18O2 — CID 142902155

IUPAC2-(4-methylphenyl)-2-phenyl-1,4-dioxane
SMILESCc1ccc(C2(c3ccccc3)COCCO2)cc1
InChIInChI=1S/C17H18O2/c1-14-7-9-16(10-8-14)17(13-18-11-12-19-17)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyBMNFYQPRNANDSO-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.29
Rot. Bonds2

About 2-(4-methylphenyl)-2-phenyl-1,4-dioxane

2-(4-methylphenyl)-2-phenyl-1,4-dioxane (PubChem CID 142902155) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-phenyl-1,4-dioxane.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-phenyl-1,4-dioxane
PubChem CID142902155
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-(4-methylphenyl)-2-phenyl-1,4-dioxane
SMILESCc1ccc(C2(c3ccccc3)COCCO2)cc1
InChIInChI=1S/C17H18O2/c1-14-7-9-16(10-8-14)17(13-18-11-12-19-17)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyBMNFYQPRNANDSO-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-bis(4-methylphenyl)oxirane
CID 12692604
2-methyl-2-phenyl-1,4-dioxane
CID 154111008
3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane
CID 14493901
2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 12934420
[2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol
CID 55253379
2-(4-methylphenyl)-2-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
CID 70620715
(2S)-2-methyl-2-phenyloxirane
CID 11629614
2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane
CID 11109870
2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol
CID 174699035
benzene;bis(1,4-xylene)
CID 159472747
4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one
CID 70113074
trimethyl-[(2S)-2-phenyloxiran-2-yl]silane
CID 135037115

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-phenyl-1,4-dioxane?
The IUPAC name of 2-(4-methylphenyl)-2-phenyl-1,4-dioxane (CID 142902155) is 2-(4-methylphenyl)-2-phenyl-1,4-dioxane.
What is the SMILES notation for 2-(4-methylphenyl)-2-phenyl-1,4-dioxane?
The canonical SMILES for 2-(4-methylphenyl)-2-phenyl-1,4-dioxane is Cc1ccc(C2(c3ccccc3)COCCO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-phenyl-1,4-dioxane?
The InChIKey is BMNFYQPRNANDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-14-7-9-16(10-8-14)17(13-18-11-12-19-17)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3.
What are the key properties of 2-(4-methylphenyl)-2-phenyl-1,4-dioxane?
2-(4-methylphenyl)-2-phenyl-1,4-dioxane has a molecular weight of 254.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-phenyl-1,4-dioxane is sourced from PubChem (CID 142902155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).