8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene

C19H20O3 — CID 85159246

IUPAC8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene
SMILESCC1(C)c2ccccc2C2(c3ccccc3)OCCOC1O2
InChIInChI=1S/C19H20O3/c1-18(2)15-10-6-7-11-16(15)19(14-8-4-3-5-9-14)21-13-12-20-17(18)22-19/h3-11,17H,12-13H2,1-2H3
InChIKeyIYXFUCAKQYFMLZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.57
Rot. Bonds1

About 8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene

8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene (PubChem CID 85159246) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene.

Molecular Properties

Compound Name8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene
PubChem CID85159246
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene
SMILESCC1(C)c2ccccc2C2(c3ccccc3)OCCOC1O2
InChIInChI=1S/C19H20O3/c1-18(2)15-10-6-7-11-16(15)19(14-8-4-3-5-9-14)21-13-12-20-17(18)22-19/h3-11,17H,12-13H2,1-2H3
InChIKeyIYXFUCAKQYFMLZ-UHFFFAOYSA-N
XLogP3.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 12934420
(2S,8R)-2-phenyl-3,7,18-trioxatetracyclo[7.7.1.12,8.013,17]octadeca-1(16),9,11,13(17),14-pentaene
CID 10734320
(2S)-2-methyl-2-phenyloxirane
CID 11629614
2-[3-bromo-4-(1,3-dioxolan-2-yl)phenyl]-2-phenyl-1,3-dioxolane
CID 58404118
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol
CID 90425557
4-ethyl-2,2-diphenyl-1,3-dioxolane
CID 123665979
(1S,9R)-1-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 101035570
2-methyl-2-phenyl-1,4-dioxane
CID 154111008
4-bromo-2,2-diphenyl-1,3-dioxolane
CID 175223631
[2-(2-phenyl-4-propyl-1,3-dioxolan-2-yl)phenyl]methanol
CID 66788371
(2S)-2-deuterio-3,3-dimethyl-2-phenyl-1H-indole
CID 102592929

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene?
The IUPAC name of 8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene (CID 85159246) is 8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene.
What is the SMILES notation for 8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene?
The canonical SMILES for 8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene is CC1(C)c2ccccc2C2(c3ccccc3)OCCOC1O2.
What is the InChIKey of 8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene?
The InChIKey is IYXFUCAKQYFMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-18(2)15-10-6-7-11-16(15)19(14-8-4-3-5-9-14)21-13-12-20-17(18)22-19/h3-11,17H,12-13H2,1-2H3.
What are the key properties of 8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene?
8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene has a molecular weight of 296.37 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene is sourced from PubChem (CID 85159246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).