bicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane

C20H24O2 — CID 174264663

IUPACbicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane
SMILESC1=CC2=CC=C1C2.Cc1cccc(COC2CCCCO2)c1
InChIInChI=1S/C13H18O2.C7H6/c1-11-5-4-6-12(9-11)10-15-13-7-2-3-8-14-13;1-2-7-4-3-6(1)5-7/h4-6,9,13H,2-3,7-8,10H2,1H3;1-4H,5H2
InChIKeyIUSWSQFSKORVCX-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.85
Rot. Bonds3

About bicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane

bicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane (PubChem CID 174264663) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane
PubChem CID174264663
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Namebicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane
SMILESC1=CC2=CC=C1C2.Cc1cccc(COC2CCCCO2)c1
InChIInChI=1S/C13H18O2.C7H6/c1-11-5-4-6-12(9-11)10-15-13-7-2-3-8-14-13;1-2-7-4-3-6(1)5-7/h4-6,9,13H,2-3,7-8,10H2,1H3;1-4H,5H2
InChIKeyIUSWSQFSKORVCX-UHFFFAOYSA-N
XLogP4.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
4-methyl-2-(oxan-2-yloxymethyl)benzenethiol
CID 19776911
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
2-[(3-nitrophenyl)methoxy]oxane
CID 10955574
2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10392867
2-[(4-methylphenyl)methoxy]oxolane
CID 11745476
2-[(4-methoxy-3-methylphenyl)methoxy]oxane
CID 66596594
3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline
CID 90246762
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369
3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide
CID 60612242
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane?
The IUPAC name of bicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane (CID 174264663) is bicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane.
What is the SMILES notation for bicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane?
The canonical SMILES for bicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane is C1=CC2=CC=C1C2.Cc1cccc(COC2CCCCO2)c1.
What is the InChIKey of bicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane?
The InChIKey is IUSWSQFSKORVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.C7H6/c1-11-5-4-6-12(9-11)10-15-13-7-2-3-8-14-13;1-2-7-4-3-6(1)5-7/h4-6,9,13H,2-3,7-8,10H2,1H3;1-4H,5H2.
What are the key properties of bicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane?
bicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane has a molecular weight of 296.41 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane is sourced from PubChem (CID 174264663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).