2-(4-ethylphenoxy)benzaldehyde

C15H14O2 — CID 29041486

IUPAC2-(4-ethylphenoxy)benzaldehyde
SMILESCCc1ccc(Oc2ccccc2C=O)cc1
InChIInChI=1S/C15H14O2/c1-2-12-7-9-14(10-8-12)17-15-6-4-3-5-13(15)11-16/h3-11H,2H2,1H3
InChIKeySJASLUXNKNXSQM-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.85
Rot. Bonds4

About 2-(4-ethylphenoxy)benzaldehyde

2-(4-ethylphenoxy)benzaldehyde (PubChem CID 29041486) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)benzaldehyde.

Molecular Properties

Compound Name2-(4-ethylphenoxy)benzaldehyde
PubChem CID29041486
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name2-(4-ethylphenoxy)benzaldehyde
SMILESCCc1ccc(Oc2ccccc2C=O)cc1
InChIInChI=1S/C15H14O2/c1-2-12-7-9-14(10-8-12)17-15-6-4-3-5-13(15)11-16/h3-11H,2H2,1H3
InChIKeySJASLUXNKNXSQM-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.85
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

2-(4-bromophenoxy)benzaldehyde
CID 28604058
2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde
CID 166001241
2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde
CID 28514995
2-[4-(2-phenylethenyl)phenoxy]benzaldehyde
CID 57248486
2-pyridin-4-yloxybenzaldehyde
CID 72943025
[4-(2-formylphenoxy)phenyl] thiohypochlorite
CID 19422253
4-(4-ethylphenoxy)-2-methylbenzaldehyde
CID 63534458
2-(3-ethylphenoxy)-5-fluorobenzaldehyde
CID 43313054
2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683414
2-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 114064170
2-[4-(4-ethylphenyl)phenoxy]aniline
CID 170400080
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
CID 55224942

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)benzaldehyde?
The IUPAC name of 2-(4-ethylphenoxy)benzaldehyde (CID 29041486) is 2-(4-ethylphenoxy)benzaldehyde.
What is the SMILES notation for 2-(4-ethylphenoxy)benzaldehyde?
The canonical SMILES for 2-(4-ethylphenoxy)benzaldehyde is CCc1ccc(Oc2ccccc2C=O)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)benzaldehyde?
The InChIKey is SJASLUXNKNXSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-2-12-7-9-14(10-8-12)17-15-6-4-3-5-13(15)11-16/h3-11H,2H2,1H3.
What are the key properties of 2-(4-ethylphenoxy)benzaldehyde?
2-(4-ethylphenoxy)benzaldehyde has a molecular weight of 226.27 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)benzaldehyde is sourced from PubChem (CID 29041486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).