2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde

C16H15FO3 — CID 123461274

IUPAC2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde
SMILESCOc1ccc(C(C=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C16H15FO3/c1-19-13-6-3-11(4-7-13)14(10-18)12-5-8-16(20-2)15(17)9-12/h3-10,14H,1-2H3
InChIKeyHTYHYORTTZMYSZ-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.17
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde

2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde (PubChem CID 123461274) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde
PubChem CID123461274
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde
SMILESCOc1ccc(C(C=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C16H15FO3/c1-19-13-6-3-11(4-7-13)14(10-18)12-5-8-16(20-2)15(17)9-12/h3-10,14H,1-2H3
InChIKeyHTYHYORTTZMYSZ-UHFFFAOYSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.17
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

(2S)-2-bromo-2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 135263435
4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene
CID 61097600
2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde
CID 89497006
2-(5-bromo-2,4-difluorophenyl)-2-(4-methoxyphenyl)acetaldehyde
CID 144744868
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
4-(dichloromethyl)-2-fluoro-1-methoxybenzene
CID 150361147
2-(2,5-dimethoxyphenyl)-2-[3-methoxy-4-(trifluoromethyl)phenyl]acetaldehyde
CID 89496872
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde (CID 123461274) is 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde is COc1ccc(C(C=O)c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde?
The InChIKey is HTYHYORTTZMYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-19-13-6-3-11(4-7-13)14(10-18)12-5-8-16(20-2)15(17)9-12/h3-10,14H,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde?
2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde has a molecular weight of 274.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetaldehyde is sourced from PubChem (CID 123461274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).