4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde

C12H12F2O3 — CID 19705426

IUPAC4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde
SMILESO=Cc1ccc(OCC2CC2)c(OC(F)F)c1
InChIInChI=1S/C12H12F2O3/c13-12(14)17-11-5-9(6-15)3-4-10(11)16-7-8-1-2-8/h3-6,8,12H,1-2,7H2
InChIKeyGMUQKCKJXAMWGY-UHFFFAOYSA-N
MW242.22 g/mol
LogP2.89
Rot. Bonds6

About 4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde

4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde (PubChem CID 19705426) has the molecular formula C12H12F2O3 and a molecular weight of 242.22 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde
PubChem CID19705426
Molecular FormulaC12H12F2O3
Molecular Weight242.22 g/mol
Exact Mass242.08
IUPAC Name4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde
SMILESO=Cc1ccc(OCC2CC2)c(OC(F)F)c1
InChIInChI=1S/C12H12F2O3/c13-12(14)17-11-5-9(6-15)3-4-10(11)16-7-8-1-2-8/h3-6,8,12H,1-2,7H2
InChIKeyGMUQKCKJXAMWGY-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 52.89
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

3-(cyclobutylmethoxy)-4-(difluoromethoxy)benzaldehyde
CID 19705417
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858
1-(cyclopropylmethoxy)-2-(difluoromethoxy)benzene
CID 54215709
1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine
CID 126963402
4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde
CID 21187955
3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]benzoic acid
CID 175575580
1-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 153354113
4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde
CID 19705430
N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide
CID 169091031
3-chloro-4-(oxan-4-ylmethoxy)benzaldehyde
CID 55066357
4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde
CID 106929603
N-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide
CID 84795927

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde?
The IUPAC name of 4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde (CID 19705426) is 4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde.
What is the SMILES notation for 4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde?
The canonical SMILES for 4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde is O=Cc1ccc(OCC2CC2)c(OC(F)F)c1.
What is the InChIKey of 4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde?
The InChIKey is GMUQKCKJXAMWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O3/c13-12(14)17-11-5-9(6-15)3-4-10(11)16-7-8-1-2-8/h3-6,8,12H,1-2,7H2.
What are the key properties of 4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde?
4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde has a molecular weight of 242.22 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde is sourced from PubChem (CID 19705426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).