6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine

C23H22O3 — CID 102077286

IUPAC6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine
SMILESCOc1ccc2c(c1)C(c1ccccc1)OC(CCc1ccccc1)O2
InChIInChI=1S/C23H22O3/c1-24-19-13-14-21-20(16-19)23(18-10-6-3-7-11-18)26-22(25-21)15-12-17-8-4-2-5-9-17/h2-11,13-14,16,22-23H,12,15H2,1H3
InChIKeyHTYWGJHZPVEIPU-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.15
Rot. Bonds5

About 6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine

6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine (PubChem CID 102077286) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine.

Molecular Properties

Compound Name6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine
PubChem CID102077286
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine
SMILESCOc1ccc2c(c1)C(c1ccccc1)OC(CCc1ccccc1)O2
InChIInChI=1S/C23H22O3/c1-24-19-13-14-21-20(16-19)23(18-10-6-3-7-11-18)26-22(25-21)15-12-17-8-4-2-5-9-17/h2-11,13-14,16,22-23H,12,15H2,1H3
InChIKeyHTYWGJHZPVEIPU-UHFFFAOYSA-N
XLogP5.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran
CID 132967211
6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one
CID 114673944
2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine
CID 56654259
7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one
CID 54329755
benzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate
CID 122376834
N-ethyl-6-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114713010
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
[(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol
CID 101241547
5-methoxy-2-methyl-3-[methyl(2-phenylethyl)amino]-2,3-dihydroinden-1-one
CID 54098619
(5S,10bS)-9-methoxy-5-(4-methoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7389914
N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide
CID 110756497
(2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane
CID 131860879

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine?
The IUPAC name of 6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine (CID 102077286) is 6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine.
What is the SMILES notation for 6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine?
The canonical SMILES for 6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine is COc1ccc2c(c1)C(c1ccccc1)OC(CCc1ccccc1)O2.
What is the InChIKey of 6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine?
The InChIKey is HTYWGJHZPVEIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c1-24-19-13-14-21-20(16-19)23(18-10-6-3-7-11-18)26-22(25-21)15-12-17-8-4-2-5-9-17/h2-11,13-14,16,22-23H,12,15H2,1H3.
What are the key properties of 6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine?
6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine has a molecular weight of 346.43 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine is sourced from PubChem (CID 102077286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).