2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane

C18H20O4 — CID 4868245

IUPAC2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane
SMILESCOc1ccc(C(c2ccc(OC)cc2)C2OCCO2)cc1
InChIInChI=1S/C18H20O4/c1-19-15-7-3-13(4-8-15)17(18-21-11-12-22-18)14-5-9-16(20-2)10-6-14/h3-10,17-18H,11-12H2,1-2H3
InChIKeyWNJLJQMWGZKVHT-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.21
Rot. Bonds5

About 2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane

2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane (PubChem CID 4868245) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane
PubChem CID4868245
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane
SMILESCOc1ccc(C(c2ccc(OC)cc2)C2OCCO2)cc1
InChIInChI=1S/C18H20O4/c1-19-15-7-3-13(4-8-15)17(18-21-11-12-22-18)14-5-9-16(20-2)10-6-14/h3-10,17-18H,11-12H2,1-2H3
InChIKeyWNJLJQMWGZKVHT-UHFFFAOYSA-N
XLogP3.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane
CID 102599381
2,3-bis(4-methoxyphenoxy)-1,4-dioxane
CID 13494254
2-[1-(4-methoxyphenoxy)ethyl]oxirane
CID 20661059
1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481680
2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane
CID 62805109
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
2-[1-(2-methoxy-9H-fluoren-9-yl)ethyl]-1,3-dioxolane
CID 19978422
(4-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine
CID 79093138
(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine
CID 79758244
methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate
CID 135058981
[3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol
CID 54520451
N-[1,4-dioxan-2-yl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 162409373

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane?
The IUPAC name of 2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane (CID 4868245) is 2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane.
What is the SMILES notation for 2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane?
The canonical SMILES for 2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane is COc1ccc(C(c2ccc(OC)cc2)C2OCCO2)cc1.
What is the InChIKey of 2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane?
The InChIKey is WNJLJQMWGZKVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-19-15-7-3-13(4-8-15)17(18-21-11-12-22-18)14-5-9-16(20-2)10-6-14/h3-10,17-18H,11-12H2,1-2H3.
What are the key properties of 2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane?
2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane has a molecular weight of 300.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane is sourced from PubChem (CID 4868245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).