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

C15H11F3O2 — CID 141271673

IUPAC2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde
SMILESCOc1c(C=O)cccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3O2/c1-20-14-11(9-19)3-2-4-13(14)10-5-7-12(8-6-10)15(16,17)18/h2-9H,1H3
InChIKeyZQJNXIZPKGJWIT-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.19
Rot. Bonds3

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

2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde (PubChem CID 141271673) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde
PubChem CID141271673
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde
SMILESCOc1c(C=O)cccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3O2/c1-20-14-11(9-19)3-2-4-13(14)10-5-7-12(8-6-10)15(16,17)18/h2-9H,1H3
InChIKeyZQJNXIZPKGJWIT-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-2-methoxybenzaldehyde;3-(4-fluorophenyl)-2-methoxybenzaldehyde
CID 161042684
5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 103694158
2-methoxy-3-naphthalen-1-ylbenzaldehyde
CID 10879893
2-methoxy-3-thiophen-2-ylbenzaldehyde
CID 172649789
2-methoxy-3-(3-nitrophenyl)benzaldehyde;2-methoxy-3-phenylbenzaldehyde
CID 160754801
3-(4-methoxyphenyl)phthalaldehyde
CID 174870899
2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde
CID 71579983
3-methoxy-2-(trifluoromethyl)benzaldehyde
CID 73012639
N-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide
CID 102337966
2-methoxy-3-tritylbenzaldehyde
CID 87578069
4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 82382595
2-fluoro-3-(4-methylphenyl)benzaldehyde
CID 171367900

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde?
The IUPAC name of 2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde (CID 141271673) is 2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde.
What is the SMILES notation for 2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde?
The canonical SMILES for 2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde is COc1c(C=O)cccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde?
The InChIKey is ZQJNXIZPKGJWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c1-20-14-11(9-19)3-2-4-13(14)10-5-7-12(8-6-10)15(16,17)18/h2-9H,1H3.
What are the key properties of 2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde?
2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde has a molecular weight of 280.25 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde is sourced from PubChem (CID 141271673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).