2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine

C28H24O3 — CID 56654259

IUPAC2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine
SMILESCOc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)OC(Cc1ccccc1)O2
InChIInChI=1S/C28H24O3/c1-29-24-17-18-26-25(20-24)28(22-13-7-3-8-14-22,23-15-9-4-10-16-23)31-27(30-26)19-21-11-5-2-6-12-21/h2-18,20,27H,19H2,1H3
InChIKeyPTQHORHACHOCCG-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.96
Rot. Bonds5

About 2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine

2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine (PubChem CID 56654259) has the molecular formula C28H24O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine.

Molecular Properties

Compound Name2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine
PubChem CID56654259
Molecular FormulaC28H24O3
Molecular Weight408.50 g/mol
Exact Mass408.17
IUPAC Name2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine
SMILESCOc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)OC(Cc1ccccc1)O2
InChIInChI=1S/C28H24O3/c1-29-24-17-18-26-25(20-24)28(22-13-7-3-8-14-22,23-15-9-4-10-16-23)31-27(30-26)19-21-11-5-2-6-12-21/h2-18,20,27H,19H2,1H3
InChIKeyPTQHORHACHOCCG-UHFFFAOYSA-N
XLogP5.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine
CID 102077286
(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052
1-[(3S)-3-benzyl-6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 101377126
1-benzyl-8-methoxy-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 70982269
(2R)-6-methoxy-2-phenylmethoxy-3,4-dihydro-2H-chromene
CID 164682445
2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114708832
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
(4aR,9aS)-4a-ethyl-6-methoxy-2-(2-phenylethyl)-1,3,4,9a-tetrahydro-[1]benzofuro[2,3-c]pyridine
CID 14570204
ethane;2-methyl-4,4-diphenyl-1,3-benzodioxine
CID 162436655
3-benzyl-7-methoxy-2,2-dioxo-1,2λ6-benzoxathiin-4-one
CID 56930675
6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
CID 79374582
6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one
CID 114673944

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine?
The IUPAC name of 2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine (CID 56654259) is 2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine.
What is the SMILES notation for 2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine?
The canonical SMILES for 2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine is COc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)OC(Cc1ccccc1)O2.
What is the InChIKey of 2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine?
The InChIKey is PTQHORHACHOCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O3/c1-29-24-17-18-26-25(20-24)28(22-13-7-3-8-14-22,23-15-9-4-10-16-23)31-27(30-26)19-21-11-5-2-6-12-21/h2-18,20,27H,19H2,1H3.
What are the key properties of 2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine?
2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine has a molecular weight of 408.50 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine is sourced from PubChem (CID 56654259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).