3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal

C11H11F3O3 — CID 134621524

IUPAC3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal
SMILESCOc1ccc(OC(F)(F)F)cc1CCC=O
InChIInChI=1S/C11H11F3O3/c1-16-10-5-4-9(17-11(12,13)14)7-8(10)3-2-6-15/h4-7H,2-3H2,1H3
InChIKeyUFJXOJFJOZCWJT-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.73
Rot. Bonds5

About 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal

3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal (PubChem CID 134621524) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal.

Molecular Properties

Compound Name3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal
PubChem CID134621524
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal
SMILESCOc1ccc(OC(F)(F)F)cc1CCC=O
InChIInChI=1S/C11H11F3O3/c1-16-10-5-4-9(17-11(12,13)14)7-8(10)3-2-6-15/h4-7H,2-3H2,1H3
InChIKeyUFJXOJFJOZCWJT-UHFFFAOYSA-N
XLogP2.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.73
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-[2,5-bis(trifluoromethoxy)phenyl]propanal
CID 166641134
3-[2-bromo-4-(trifluoromethoxy)phenyl]propanal
CID 134621372
3-[2-bromo-5-(trifluoromethoxy)phenyl]propanal
CID 134621395
methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170997187
ethyl 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanoate
CID 134632480
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
3-(2-methoxy-5-phenylmethoxyphenyl)propanal
CID 71659859
[2,5-bis(trifluoromethoxy)phenyl]methyl formate
CID 87851559
[2-methoxy-5-(trifluoromethoxy)phenyl]azanide
CID 158966007
N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 31827643
3-[2-(difluoromethyl)-5-methoxyphenyl]propanal
CID 117305190
1-iodo-2-methoxy-4-(trifluoromethoxy)benzene
CID 53415972

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal?
The IUPAC name of 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal (CID 134621524) is 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal.
What is the SMILES notation for 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal?
The canonical SMILES for 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal is COc1ccc(OC(F)(F)F)cc1CCC=O.
What is the InChIKey of 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal?
The InChIKey is UFJXOJFJOZCWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-16-10-5-4-9(17-11(12,13)14)7-8(10)3-2-6-15/h4-7H,2-3H2,1H3.
What are the key properties of 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal?
3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal has a molecular weight of 248.20 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal is sourced from PubChem (CID 134621524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).