3-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzaldehyde

C13H13F3O3 — CID 117052334

IUPAC3-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzaldehyde
SMILESCOc1cc(C=O)ccc1OCC1(C(F)(F)F)CC1
InChIInChI=1S/C13H13F3O3/c1-18-11-6-9(7-17)2-3-10(11)19-8-12(4-5-12)13(14,15)16/h2-3,6-7H,4-5,8H2,1H3
InChIKeyCYWCUBLCRSNZCK-UHFFFAOYSA-N
MW274.24 g/mol
LogP3.23
Rot. Bonds5

About 3-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzaldehyde

3-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzaldehyde (PubChem CID 117052334) has the molecular formula C13H13F3O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 3-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzaldehyde
PubChem CID117052334
Molecular FormulaC13H13F3O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name3-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzaldehyde
SMILESCOc1cc(C=O)ccc1OCC1(C(F)(F)F)CC1
InChIInChI=1S/C13H13F3O3/c1-18-11-6-9(7-17)2-3-10(11)19-8-12(4-5-12)13(14,15)16/h2-3,6-7H,4-5,8H2,1H3
InChIKeyCYWCUBLCRSNZCK-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 53.23
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-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
3-methoxy-4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)benzaldehyde
CID 23103673
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
4-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2284376
4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 143085806
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
CID 59839085
4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde
CID 106929603

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzaldehyde?
The IUPAC name of 3-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzaldehyde (CID 117052334) is 3-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzaldehyde.
What is the SMILES notation for 3-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzaldehyde?
The canonical SMILES for 3-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzaldehyde is COc1cc(C=O)ccc1OCC1(C(F)(F)F)CC1.
What is the InChIKey of 3-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzaldehyde?
The InChIKey is CYWCUBLCRSNZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O3/c1-18-11-6-9(7-17)2-3-10(11)19-8-12(4-5-12)13(14,15)16/h2-3,6-7H,4-5,8H2,1H3.
What are the key properties of 3-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzaldehyde?
3-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzaldehyde has a molecular weight of 274.24 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]methoxy]benzaldehyde is sourced from PubChem (CID 117052334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).