7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine

C18H18O2 — CID 51031693

IUPAC7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine
SMILESCC1=CC(c2ccccc2)OCC(c2ccccc2)O1
InChIInChI=1S/C18H18O2/c1-14-12-17(15-8-4-2-5-9-15)19-13-18(20-14)16-10-6-3-7-11-16/h2-12,17-18H,13H2,1H3
InChIKeyYBRCTARNBZKYPM-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.42
Rot. Bonds2

About 7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine

7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine (PubChem CID 51031693) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine.

Molecular Properties

Compound Name7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine
PubChem CID51031693
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine
SMILESCC1=CC(c2ccccc2)OCC(c2ccccc2)O1
InChIInChI=1S/C18H18O2/c1-14-12-17(15-8-4-2-5-9-15)19-13-18(20-14)16-10-6-3-7-11-16/h2-12,17-18H,13H2,1H3
InChIKeyYBRCTARNBZKYPM-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-phenyloxirane
CID 54171856
2-phenyloxirane
CID 7276
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2-hydroperoxy-2-methylpropane;2-phenyloxirane
CID 159367370
4-phenyl-1,3-dioxolan-2-one
CID 160714565
4-[(2-methylphenyl)methoxy]-2-phenyloxolane
CID 21326622
(3R,6R)-6-phenyl-3,6-dihydro-2H-pyran-3-ol
CID 129411804
4-(ethoxymethyl)-2-phenyl-2,5-dihydrofuran
CID 10954673
[(3S,6R)-6-phenyl-3,6-dihydro-2H-pyran-3-yl] acetate
CID 102226049
(2S,5S)-4-bromo-5-methyl-2-phenyloxane
CID 102496520
(2R,5S)-5-phenyl-1,4-dioxane-2-carboxylic acid
CID 53350289
2-phenyloxirane;3-prop-2-enoxyprop-1-ene
CID 87729483

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine?
The IUPAC name of 7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine (CID 51031693) is 7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine.
What is the SMILES notation for 7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine?
The canonical SMILES for 7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine is CC1=CC(c2ccccc2)OCC(c2ccccc2)O1.
What is the InChIKey of 7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine?
The InChIKey is YBRCTARNBZKYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-14-12-17(15-8-4-2-5-9-15)19-13-18(20-14)16-10-6-3-7-11-16/h2-12,17-18H,13H2,1H3.
What are the key properties of 7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine?
7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine has a molecular weight of 266.34 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine is sourced from PubChem (CID 51031693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).