3-[4-[(4-methoxyphenoxy)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine

C22H20O4 — CID 134943918

IUPAC3-[4-[(4-methoxyphenoxy)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine
SMILESCOc1ccc(OCc2ccc(C3COc4ccccc4O3)cc2)cc1
InChIInChI=1S/C22H20O4/c1-23-18-10-12-19(13-11-18)24-14-16-6-8-17(9-7-16)22-15-25-20-4-2-3-5-21(20)26-22/h2-13,22H,14-15H2,1H3
InChIKeyMDBZJQLKCAIFEI-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.79
Rot. Bonds5

About 3-[4-[(4-methoxyphenoxy)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine

3-[4-[(4-methoxyphenoxy)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 134943918) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[4-[(4-methoxyphenoxy)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name3-[4-[(4-methoxyphenoxy)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID134943918
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name3-[4-[(4-methoxyphenoxy)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine
SMILESCOc1ccc(OCc2ccc(C3COc4ccccc4O3)cc2)cc1
InChIInChI=1S/C22H20O4/c1-23-18-10-12-19(13-11-18)24-14-16-6-8-17(9-7-16)22-15-25-20-4-2-3-5-21(20)26-22/h2-13,22H,14-15H2,1H3
InChIKeyMDBZJQLKCAIFEI-UHFFFAOYSA-N
XLogP4.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methoxyphenoxy)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 3-[4-[(4-methoxyphenoxy)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine (CID 134943918) is 3-[4-[(4-methoxyphenoxy)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 3-[4-[(4-methoxyphenoxy)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 3-[4-[(4-methoxyphenoxy)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine is COc1ccc(OCc2ccc(C3COc4ccccc4O3)cc2)cc1.
What is the InChIKey of 3-[4-[(4-methoxyphenoxy)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is MDBZJQLKCAIFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-23-18-10-12-19(13-11-18)24-14-16-6-8-17(9-7-16)22-15-25-20-4-2-3-5-21(20)26-22/h2-13,22H,14-15H2,1H3.
What are the key properties of 3-[4-[(4-methoxyphenoxy)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine?
3-[4-[(4-methoxyphenoxy)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 348.40 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methoxyphenoxy)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 134943918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).