2-(1-methoxy-2-phenylethenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane

C19H26O2 — CID 70124138

IUPAC2-(1-methoxy-2-phenylethenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane
SMILESCOC(=Cc1ccccc1)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C19H26O2/c1-18(2)15-10-11-19(18,3)16(13-15)21-17(20-4)12-14-8-6-5-7-9-14/h5-9,12,15-16H,10-11,13H2,1-4H3
InChIKeyOYZZRLHGQQTTFZ-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.86
Rot. Bonds4

About 2-(1-methoxy-2-phenylethenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane

2-(1-methoxy-2-phenylethenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane (PubChem CID 70124138) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 2-(1-methoxy-2-phenylethenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(1-methoxy-2-phenylethenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane
PubChem CID70124138
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name2-(1-methoxy-2-phenylethenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane
SMILESCOC(=Cc1ccccc1)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C19H26O2/c1-18(2)15-10-11-19(18,3)16(13-15)21-17(20-4)12-14-8-6-5-7-9-14/h5-9,12,15-16H,10-11,13H2,1-4H3
InChIKeyOYZZRLHGQQTTFZ-UHFFFAOYSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (Z)-3-phenylprop-2-enoate
CID 98060982
[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzoate
CID 100810555
2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]benzoic acid
CID 3664892
[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-phenylpropanoate
CID 102316654
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylpropanoate
CID 2832696
[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (2S)-2-hydroxy-2-phenylpropanoate
CID 165367546
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] hydrogen carbonate
CID 137480256
O-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzylsulfanylmethanethioate
CID 10471272
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (2S)-2-phenylbutanoate
CID 15524551
[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] N-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxycarbonylamino]carbamate
CID 10453143
acetic acid;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 118982093
2-oxo-2-[[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]acetic acid
CID 174735483

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2-phenylethenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of 2-(1-methoxy-2-phenylethenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane (CID 70124138) is 2-(1-methoxy-2-phenylethenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(1-methoxy-2-phenylethenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-(1-methoxy-2-phenylethenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane is COC(=Cc1ccccc1)OC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 2-(1-methoxy-2-phenylethenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane?
The InChIKey is OYZZRLHGQQTTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-18(2)15-10-11-19(18,3)16(13-15)21-17(20-4)12-14-8-6-5-7-9-14/h5-9,12,15-16H,10-11,13H2,1-4H3.
What are the key properties of 2-(1-methoxy-2-phenylethenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane?
2-(1-methoxy-2-phenylethenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane has a molecular weight of 286.41 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2-phenylethenoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 70124138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).