2-methoxybenzaldehyde;2-oxabicyclo[2.1.0]pentane

C12H14O3 — CID 87135662

IUPAC2-methoxybenzaldehyde;2-oxabicyclo[2.1.0]pentane
SMILESC1OC2CC12.COc1ccccc1C=O
InChIInChI=1S/C8H8O2.C4H6O/c1-10-8-5-3-2-4-7(8)6-9;1-3-2-5-4(1)3/h2-6H,1H3;3-4H,1-2H2
InChIKeyFTSWDTIEKVUCDN-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.91
Rot. Bonds2

About 2-methoxybenzaldehyde;2-oxabicyclo[2.1.0]pentane

2-methoxybenzaldehyde;2-oxabicyclo[2.1.0]pentane (PubChem CID 87135662) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-methoxybenzaldehyde;2-oxabicyclo[2.1.0]pentane.

Molecular Properties

Compound Name2-methoxybenzaldehyde;2-oxabicyclo[2.1.0]pentane
PubChem CID87135662
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-methoxybenzaldehyde;2-oxabicyclo[2.1.0]pentane
SMILESC1OC2CC12.COc1ccccc1C=O
InChIInChI=1S/C8H8O2.C4H6O/c1-10-8-5-3-2-4-7(8)6-9;1-3-2-5-4(1)3/h2-6H,1H3;3-4H,1-2H2
InChIKeyFTSWDTIEKVUCDN-UHFFFAOYSA-N
XLogP1.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.91
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

carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
cyclopropane;2-methoxybenzaldehyde;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene
CID 175295134
(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane
CID 24806595
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-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde
CID 91239700
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-(2-methoxyphenyl)sulfanylbenzaldehyde
CID 12946428
2-[2-(2-methoxyphenyl)ethynyl]benzaldehyde
CID 25215814
6-(2-methoxyphenyl)-1,3-benzodioxole-5-carbaldehyde
CID 172909252

Frequently Asked Questions

What is the IUPAC name of 2-methoxybenzaldehyde;2-oxabicyclo[2.1.0]pentane?
The IUPAC name of 2-methoxybenzaldehyde;2-oxabicyclo[2.1.0]pentane (CID 87135662) is 2-methoxybenzaldehyde;2-oxabicyclo[2.1.0]pentane.
What is the SMILES notation for 2-methoxybenzaldehyde;2-oxabicyclo[2.1.0]pentane?
The canonical SMILES for 2-methoxybenzaldehyde;2-oxabicyclo[2.1.0]pentane is C1OC2CC12.COc1ccccc1C=O.
What is the InChIKey of 2-methoxybenzaldehyde;2-oxabicyclo[2.1.0]pentane?
The InChIKey is FTSWDTIEKVUCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C4H6O/c1-10-8-5-3-2-4-7(8)6-9;1-3-2-5-4(1)3/h2-6H,1H3;3-4H,1-2H2.
What are the key properties of 2-methoxybenzaldehyde;2-oxabicyclo[2.1.0]pentane?
2-methoxybenzaldehyde;2-oxabicyclo[2.1.0]pentane has a molecular weight of 206.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybenzaldehyde;2-oxabicyclo[2.1.0]pentane is sourced from PubChem (CID 87135662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).