6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine

C18H18O3 — CID 139648138

IUPAC6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine
SMILESCOc1ccc(C2=COC(c3ccccc3)OCC2)cc1
InChIInChI=1S/C18H18O3/c1-19-17-9-7-14(8-10-17)16-11-12-20-18(21-13-16)15-5-3-2-4-6-15/h2-10,13,18H,11-12H2,1H3
InChIKeyLEGIZBLOMZWUDX-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.17
Rot. Bonds3

About 6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine

6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine (PubChem CID 139648138) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine
PubChem CID139648138
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine
SMILESCOc1ccc(C2=COC(c3ccccc3)OCC2)cc1
InChIInChI=1S/C18H18O3/c1-19-17-9-7-14(8-10-17)16-11-12-20-18(21-13-16)15-5-3-2-4-6-15/h2-10,13,18H,11-12H2,1H3
InChIKeyLEGIZBLOMZWUDX-UHFFFAOYSA-N
XLogP4.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole
CID 590944
4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran
CID 154712619
4-methoxy-2-phenyl-1,3-dioxole
CID 141045608
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
2-(4-methoxyphenyl)-1,3-dioxan-5-ol
CID 13478629
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene
CID 78120587
anisole;trihydrofluoride
CID 174796385
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266
CID 173148685
CID 173148685

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine?
The IUPAC name of 6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine (CID 139648138) is 6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine?
The canonical SMILES for 6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine is COc1ccc(C2=COC(c3ccccc3)OCC2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine?
The InChIKey is LEGIZBLOMZWUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-19-17-9-7-14(8-10-17)16-11-12-20-18(21-13-16)15-5-3-2-4-6-15/h2-10,13,18H,11-12H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine?
6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine has a molecular weight of 282.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine is sourced from PubChem (CID 139648138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).