2-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]acetaldehyde

C15H18F2O2 — CID 153389663

IUPAC2-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]acetaldehyde
SMILESCC(C)c1cc(OC(F)F)cc(C2CC2)c1CC=O
InChIInChI=1S/C15H18F2O2/c1-9(2)13-7-11(19-15(16)17)8-14(10-3-4-10)12(13)5-6-18/h6-10,15H,3-5H2,1-2H3
InChIKeyJGAIVBVABQNVHF-UHFFFAOYSA-N
MW268.30 g/mol
LogP4.03
Rot. Bonds6

About 2-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]acetaldehyde

2-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]acetaldehyde (PubChem CID 153389663) has the molecular formula C15H18F2O2 and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]acetaldehyde
PubChem CID153389663
Molecular FormulaC15H18F2O2
Molecular Weight268.30 g/mol
Exact Mass268.13
IUPAC Name2-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]acetaldehyde
SMILESCC(C)c1cc(OC(F)F)cc(C2CC2)c1CC=O
InChIInChI=1S/C15H18F2O2/c1-9(2)13-7-11(19-15(16)17)8-14(10-3-4-10)12(13)5-6-18/h6-10,15H,3-5H2,1-2H3
InChIKeyJGAIVBVABQNVHF-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]acetaldehyde?
The IUPAC name of 2-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]acetaldehyde (CID 153389663) is 2-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]acetaldehyde.
What is the SMILES notation for 2-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]acetaldehyde?
The canonical SMILES for 2-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]acetaldehyde is CC(C)c1cc(OC(F)F)cc(C2CC2)c1CC=O.
What is the InChIKey of 2-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]acetaldehyde?
The InChIKey is JGAIVBVABQNVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O2/c1-9(2)13-7-11(19-15(16)17)8-14(10-3-4-10)12(13)5-6-18/h6-10,15H,3-5H2,1-2H3.
What are the key properties of 2-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]acetaldehyde?
2-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]acetaldehyde has a molecular weight of 268.30 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]acetaldehyde is sourced from PubChem (CID 153389663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).