2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde

C18H17F3O4 — CID 89496872

IUPAC2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde
SMILESCOc1ccc(OC)c(C(C=O)c2ccc(C(F)(F)F)c(OC)c2)c1
InChIInChI=1S/C18H17F3O4/c1-23-12-5-7-16(24-2)13(9-12)14(10-22)11-4-6-15(18(19,20)21)17(8-11)25-3/h4-10,14H,1-3H3
InChIKeyMNFOIDVYKFADGP-UHFFFAOYSA-N
MW354.32 g/mol
LogP4.06
Rot. Bonds6

About 2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde

2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde (PubChem CID 89496872) has the molecular formula C18H17F3O4 and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde
PubChem CID89496872
Molecular FormulaC18H17F3O4
Molecular Weight354.32 g/mol
Exact Mass354.11
IUPAC Name2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde
SMILESCOc1ccc(OC)c(C(C=O)c2ccc(C(F)(F)F)c(OC)c2)c1
InChIInChI=1S/C18H17F3O4/c1-23-12-5-7-16(24-2)13(9-12)14(10-22)11-4-6-15(18(19,20)21)17(8-11)25-3/h4-10,14H,1-3H3
InChIKeyMNFOIDVYKFADGP-UHFFFAOYSA-N
XLogP4.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde
CID 89497006
2-(2,5-dimethoxyphenyl)propanal
CID 596766
2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde
CID 123461274
2-(5-bromo-2,4-difluorophenyl)-2-(4-methoxyphenyl)acetaldehyde
CID 144744868
2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene
CID 46311605
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
2,2-dibromo-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetaldehyde
CID 87516080
1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide
CID 114827630
2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene
CID 167531102
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914326
2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde
CID 159871714

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde (CID 89496872) is 2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde is COc1ccc(OC)c(C(C=O)c2ccc(C(F)(F)F)c(OC)c2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde?
The InChIKey is MNFOIDVYKFADGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O4/c1-23-12-5-7-16(24-2)13(9-12)14(10-22)11-4-6-15(18(19,20)21)17(8-11)25-3/h4-10,14H,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde?
2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde has a molecular weight of 354.32 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde is sourced from PubChem (CID 89496872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).