cyclopropane;2-methoxybenzaldehyde;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene

C18H20O3 — CID 175295134

IUPACcyclopropane;2-methoxybenzaldehyde;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene
SMILESC1CC1.COc1ccccc1C=O.c1cc2ccc1CO2
InChIInChI=1S/C8H8O2.C7H6O.C3H6/c1-10-8-5-3-2-4-7(8)6-9;1-3-7-4-2-6(1)5-8-7;1-2-3-1/h2-6H,1H3;1-4H,5H2;1-3H2
InChIKeyYRDJHGNIRYZOMB-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.26
Rot. Bonds2

About cyclopropane;2-methoxybenzaldehyde;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene

cyclopropane;2-methoxybenzaldehyde;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene (PubChem CID 175295134) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is cyclopropane;2-methoxybenzaldehyde;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene.

Molecular Properties

Compound Namecyclopropane;2-methoxybenzaldehyde;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene
PubChem CID175295134
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namecyclopropane;2-methoxybenzaldehyde;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene
SMILESC1CC1.COc1ccccc1C=O.c1cc2ccc1CO2
InChIInChI=1S/C8H8O2.C7H6O.C3H6/c1-10-8-5-3-2-4-7(8)6-9;1-3-7-4-2-6(1)5-8-7;1-2-3-1/h2-6H,1H3;1-4H,5H2;1-3H2
InChIKeyYRDJHGNIRYZOMB-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyphenyl)but-3-en-2-one;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene
CID 70291843
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
(2-methoxyphenyl)methanamine;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene
CID 174491309
2-methoxybenzaldehyde;2-oxabicyclo[2.1.0]pentane
CID 87135662
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2-methylperoxybenzaldehyde
CID 23505479
2-(2-formylphenoxy)-6-methoxybenzaldehyde
CID 102334226
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-(4-methylcyclohexa-1,3-dien-1-yl)oxybenzaldehyde
CID 91547146
(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one
CID 121461091
2-(2-methoxyphenyl)sulfanylbenzaldehyde
CID 12946428

Frequently Asked Questions

What is the IUPAC name of cyclopropane;2-methoxybenzaldehyde;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene?
The IUPAC name of cyclopropane;2-methoxybenzaldehyde;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene (CID 175295134) is cyclopropane;2-methoxybenzaldehyde;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene.
What is the SMILES notation for cyclopropane;2-methoxybenzaldehyde;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene?
The canonical SMILES for cyclopropane;2-methoxybenzaldehyde;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene is C1CC1.COc1ccccc1C=O.c1cc2ccc1CO2.
What is the InChIKey of cyclopropane;2-methoxybenzaldehyde;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene?
The InChIKey is YRDJHGNIRYZOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C7H6O.C3H6/c1-10-8-5-3-2-4-7(8)6-9;1-3-7-4-2-6(1)5-8-7;1-2-3-1/h2-6H,1H3;1-4H,5H2;1-3H2.
What are the key properties of cyclopropane;2-methoxybenzaldehyde;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene?
cyclopropane;2-methoxybenzaldehyde;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene has a molecular weight of 284.36 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;2-methoxybenzaldehyde;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene is sourced from PubChem (CID 175295134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).