2-(2,5-dimethylphenyl)-2-(2-phenylethynyl)-1,3-dioxolane

C19H18O2 — CID 134454805

IUPAC2-(2,5-dimethylphenyl)-2-(2-phenylethynyl)-1,3-dioxolane
SMILESCc1ccc(C)c(C2(C#Cc3ccccc3)OCCO2)c1
InChIInChI=1S/C19H18O2/c1-15-8-9-16(2)18(14-15)19(20-12-13-21-19)11-10-17-6-4-3-5-7-17/h3-9,14H,12-13H2,1-2H3
InChIKeyLWAZMLKOSYQWNI-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.55
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-2-(2-phenylethynyl)-1,3-dioxolane

2-(2,5-dimethylphenyl)-2-(2-phenylethynyl)-1,3-dioxolane (PubChem CID 134454805) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-2-(2-phenylethynyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-2-(2-phenylethynyl)-1,3-dioxolane
PubChem CID134454805
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name2-(2,5-dimethylphenyl)-2-(2-phenylethynyl)-1,3-dioxolane
SMILESCc1ccc(C)c(C2(C#Cc3ccccc3)OCCO2)c1
InChIInChI=1S/C19H18O2/c1-15-8-9-16(2)18(14-15)19(20-12-13-21-19)11-10-17-6-4-3-5-7-17/h3-9,14H,12-13H2,1-2H3
InChIKeyLWAZMLKOSYQWNI-UHFFFAOYSA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one
CID 57379529
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
2-methyl-4-(2-phenylethynyl)phenol
CID 59263622
4-(2,5-dimethylphenyl)oxane-4-carboxylic acid
CID 82620301
2-phenylethynylbenzene;hydrofluoride
CID 158259923
(1R)-1-(3-methylsulfanylphenyl)-1-(2-phenylethynyl)-3,4-dihydroisochromene
CID 132918514
(4-methylphenyl)-bis(2-phenylethynyl)stibane
CID 11452729
4-(2,5-dimethylphenyl)-4-isocyanatooxane
CID 82082100
trimethyl-[2-[3-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]phenyl]ethynyl]silane
CID 70383548
1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842259
2-(2,2-dichloro-1-methylcyclopropyl)ethynylbenzene
CID 14321527
ethane;3,3,5-trimethyl-1H-2-benzofuran
CID 143240840

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-2-(2-phenylethynyl)-1,3-dioxolane?
The IUPAC name of 2-(2,5-dimethylphenyl)-2-(2-phenylethynyl)-1,3-dioxolane (CID 134454805) is 2-(2,5-dimethylphenyl)-2-(2-phenylethynyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-2-(2-phenylethynyl)-1,3-dioxolane?
The canonical SMILES for 2-(2,5-dimethylphenyl)-2-(2-phenylethynyl)-1,3-dioxolane is Cc1ccc(C)c(C2(C#Cc3ccccc3)OCCO2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-2-(2-phenylethynyl)-1,3-dioxolane?
The InChIKey is LWAZMLKOSYQWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-15-8-9-16(2)18(14-15)19(20-12-13-21-19)11-10-17-6-4-3-5-7-17/h3-9,14H,12-13H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-2-(2-phenylethynyl)-1,3-dioxolane?
2-(2,5-dimethylphenyl)-2-(2-phenylethynyl)-1,3-dioxolane has a molecular weight of 278.35 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-2-(2-phenylethynyl)-1,3-dioxolane is sourced from PubChem (CID 134454805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).