4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene

C24H26O3 — CID 175322944

IUPAC4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene
SMILESCC1COC(c2ccccc2)O1.c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O.C10H12O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-8-7-11-10(12-8)9-5-3-2-4-6-9/h1-10H,11-12H2;2-6,8,10H,7H2,1H3
InChIKeyLUXABOFYKJYTIL-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.52
Rot. Bonds5

About 4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene

4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene (PubChem CID 175322944) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene.

Molecular Properties

Compound Name4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene
PubChem CID175322944
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene
SMILESCC1COC(c2ccccc2)O1.c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O.C10H12O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-8-7-11-10(12-8)9-5-3-2-4-6-9/h1-10H,11-12H2;2-6,8,10H,7H2,1H3
InChIKeyLUXABOFYKJYTIL-UHFFFAOYSA-N
XLogP5.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3R,5S,7S,8R,9S)-5-methyl-11-phenyl-8-phenylmethoxy-2,6,10,12-tetraoxatricyclo[7.4.0.03,7]tridecane
CID 102251540
(2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane
CID 11023789
(4aR,7S,8R,8aR)-6-methyl-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 167040724
(8S,8aS)-7-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 173382281
(6S,8S,8aR)-6-methyl-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 71013745
(6S,8R,8aS)-7,8-dimethyl-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 70822984
4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane
CID 70936320
(4S,5R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-phenyl-1,3-dioxan-5-ol
CID 11313942
(4aR,6S,8aS)-2-phenyl-6-phenylmethoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine
CID 51063373
(2R,3aR)-4-methyl-2-phenyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 134582152
ethane;phenylmethoxymethylbenzene
CID 90943549
oxiran-2-ylmethanol;phenylmethoxymethylbenzene
CID 87861777

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene?
The IUPAC name of 4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene (CID 175322944) is 4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene.
What is the SMILES notation for 4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene?
The canonical SMILES for 4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene is CC1COC(c2ccccc2)O1.c1ccc(COCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene?
The InChIKey is LUXABOFYKJYTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.C10H12O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-8-7-11-10(12-8)9-5-3-2-4-6-9/h1-10H,11-12H2;2-6,8,10H,7H2,1H3.
What are the key properties of 4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene?
4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene has a molecular weight of 362.47 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene is sourced from PubChem (CID 175322944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).