4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde

C17H17FO2 — CID 58047174

IUPAC4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde
SMILESCCOc1ccc(CCc2ccc(C=O)c(F)c2)cc1
InChIInChI=1S/C17H17FO2/c1-2-20-16-9-6-13(7-10-16)3-4-14-5-8-15(12-19)17(18)11-14/h5-12H,2-4H2,1H3
InChIKeyGYYASUGBOVRART-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.82
Rot. Bonds6

About 4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde

4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde (PubChem CID 58047174) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde.

Molecular Properties

Compound Name4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde
PubChem CID58047174
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde
SMILESCCOc1ccc(CCc2ccc(C=O)c(F)c2)cc1
InChIInChI=1S/C17H17FO2/c1-2-20-16-9-6-13(7-10-16)3-4-14-5-8-15(12-19)17(18)11-14/h5-12H,2-4H2,1H3
InChIKeyGYYASUGBOVRART-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde?
The IUPAC name of 4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde (CID 58047174) is 4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde.
What is the SMILES notation for 4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde?
The canonical SMILES for 4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde is CCOc1ccc(CCc2ccc(C=O)c(F)c2)cc1.
What is the InChIKey of 4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde?
The InChIKey is GYYASUGBOVRART-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-2-20-16-9-6-13(7-10-16)3-4-14-5-8-15(12-19)17(18)11-14/h5-12H,2-4H2,1H3.
What are the key properties of 4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde?
4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde has a molecular weight of 272.32 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde is sourced from PubChem (CID 58047174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).