2-(3-ethylphenoxy)-5-fluorobenzaldehyde

C15H13FO2 — CID 43313054

IUPAC2-(3-ethylphenoxy)-5-fluorobenzaldehyde
SMILESCCc1cccc(Oc2ccc(F)cc2C=O)c1
InChIInChI=1S/C15H13FO2/c1-2-11-4-3-5-14(8-11)18-15-7-6-13(16)9-12(15)10-17/h3-10H,2H2,1H3
InChIKeyRHQFJGOOEXQPHI-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.99
Rot. Bonds4

About 2-(3-ethylphenoxy)-5-fluorobenzaldehyde

2-(3-ethylphenoxy)-5-fluorobenzaldehyde (PubChem CID 43313054) has the molecular formula C15H13FO2 and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-5-fluorobenzaldehyde
PubChem CID43313054
Molecular FormulaC15H13FO2
Molecular Weight244.27 g/mol
Exact Mass244.09
IUPAC Name2-(3-ethylphenoxy)-5-fluorobenzaldehyde
SMILESCCc1cccc(Oc2ccc(F)cc2C=O)c1
InChIInChI=1S/C15H13FO2/c1-2-11-4-3-5-14(8-11)18-15-7-6-13(16)9-12(15)10-17/h3-10H,2H2,1H3
InChIKeyRHQFJGOOEXQPHI-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.99
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

5-fluoro-2-(3-fluorophenoxy)benzaldehyde
CID 43313270
1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 43105896
2-(4-ethylphenoxy)benzaldehyde
CID 29041486
2-(3-ethylphenoxy)-6-fluoroaniline
CID 54920607
2-(3-ethylphenoxy)benzoyl bromide
CID 139662785
(2-formylphenyl) 2-(3-ethylphenoxy)acetate
CID 39199858
[4-(3-ethylphenoxy)-3-fluorophenyl]methanol
CID 28945816
2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde
CID 63269304
2-(3-ethylphenoxy)quinoline-3-carbaldehyde
CID 28951558
3-(3-ethylphenoxy)-2-nitrobenzoic acid
CID 115540994
ethyl 3-[3-[4-(4-chlorophenoxy)-2-formylphenoxy]phenyl]-2-methylpropanoate
CID 143082747
2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde
CID 104707930

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-5-fluorobenzaldehyde?
The IUPAC name of 2-(3-ethylphenoxy)-5-fluorobenzaldehyde (CID 43313054) is 2-(3-ethylphenoxy)-5-fluorobenzaldehyde.
What is the SMILES notation for 2-(3-ethylphenoxy)-5-fluorobenzaldehyde?
The canonical SMILES for 2-(3-ethylphenoxy)-5-fluorobenzaldehyde is CCc1cccc(Oc2ccc(F)cc2C=O)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-5-fluorobenzaldehyde?
The InChIKey is RHQFJGOOEXQPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-2-11-4-3-5-14(8-11)18-15-7-6-13(16)9-12(15)10-17/h3-10H,2H2,1H3.
What are the key properties of 2-(3-ethylphenoxy)-5-fluorobenzaldehyde?
2-(3-ethylphenoxy)-5-fluorobenzaldehyde has a molecular weight of 244.27 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-5-fluorobenzaldehyde is sourced from PubChem (CID 43313054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).