3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde

C17H15F3O3 — CID 172652029

IUPAC3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde
SMILESCOCc1cc(OC)ccc1-c1cc(C=O)cc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3O3/c1-22-10-13-8-15(23-2)3-4-16(13)12-5-11(9-21)6-14(7-12)17(18,19)20/h3-9H,10H2,1-2H3
InChIKeyOGHOXPBTHPBZJD-UHFFFAOYSA-N
MW324.30 g/mol
LogP4.34
Rot. Bonds5

About 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde

3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde (PubChem CID 172652029) has the molecular formula C17H15F3O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde
PubChem CID172652029
Molecular FormulaC17H15F3O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Name3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde
SMILESCOCc1cc(OC)ccc1-c1cc(C=O)cc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3O3/c1-22-10-13-8-15(23-2)3-4-16(13)12-5-11(9-21)6-14(7-12)17(18,19)20/h3-9H,10H2,1-2H3
InChIKeyOGHOXPBTHPBZJD-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.34
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-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde
CID 172652021
3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
CID 172651683
3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
CID 172652041
1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene
CID 172652027
3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzaldehyde
CID 118811729
3-[3,5-bis(trifluoromethyl)phenyl]-4-methoxybenzaldehyde
CID 118071467
5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 103694158
3,5-dimethoxy-4-[4-(trifluoromethyl)phenoxy]benzaldehyde
CID 170440980
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
N-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 134068254
4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde
CID 79884305
4-[3-methoxy-5-(trifluoromethyl)phenyl]but-3-enal
CID 170482691

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde?
The IUPAC name of 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde (CID 172652029) is 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde is COCc1cc(OC)ccc1-c1cc(C=O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde?
The InChIKey is OGHOXPBTHPBZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O3/c1-22-10-13-8-15(23-2)3-4-16(13)12-5-11(9-21)6-14(7-12)17(18,19)20/h3-9H,10H2,1-2H3.
What are the key properties of 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde?
3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde has a molecular weight of 324.30 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 172652029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).