3-ethyl-5-phenoxybenzaldehyde

C15H14O2 — CID 141489736

IUPAC3-ethyl-5-phenoxybenzaldehyde
SMILESCCc1cc(C=O)cc(Oc2ccccc2)c1
InChIInChI=1S/C15H14O2/c1-2-12-8-13(11-16)10-15(9-12)17-14-6-4-3-5-7-14/h3-11H,2H2,1H3
InChIKeyDEIVVIQSFFXYFN-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.85
Rot. Bonds4

About 3-ethyl-5-phenoxybenzaldehyde

3-ethyl-5-phenoxybenzaldehyde (PubChem CID 141489736) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-ethyl-5-phenoxybenzaldehyde.

Molecular Properties

Compound Name3-ethyl-5-phenoxybenzaldehyde
PubChem CID141489736
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name3-ethyl-5-phenoxybenzaldehyde
SMILESCCc1cc(C=O)cc(Oc2ccccc2)c1
InChIInChI=1S/C15H14O2/c1-2-12-8-13(11-16)10-15(9-12)17-14-6-4-3-5-7-14/h3-11H,2H2,1H3
InChIKeyDEIVVIQSFFXYFN-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 ≤ 500226.28
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

3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol
CID 138731649
benzaldehyde;ethane;ethylbenzene
CID 161150062
(E)-3-[3-(3-ethylphenoxy)-5-fluorophenyl]prop-2-enoic acid
CID 106531653
ethyl formate;phenoxybenzene
CID 174262860
ethane;phenoxybenzene;propane
CID 90923491
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
3-(3,5-dimethoxyphenoxy)benzaldehyde
CID 63944242
3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde
CID 85417491
3-(4-butan-2-ylphenoxy)benzaldehyde
CID 107665630
3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]-5-ethylbenzaldehyde
CID 129211031
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
1-ethyl-3-phenoxybenzene;2-methylphenol
CID 142875210

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-phenoxybenzaldehyde?
The IUPAC name of 3-ethyl-5-phenoxybenzaldehyde (CID 141489736) is 3-ethyl-5-phenoxybenzaldehyde.
What is the SMILES notation for 3-ethyl-5-phenoxybenzaldehyde?
The canonical SMILES for 3-ethyl-5-phenoxybenzaldehyde is CCc1cc(C=O)cc(Oc2ccccc2)c1.
What is the InChIKey of 3-ethyl-5-phenoxybenzaldehyde?
The InChIKey is DEIVVIQSFFXYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-2-12-8-13(11-16)10-15(9-12)17-14-6-4-3-5-7-14/h3-11H,2H2,1H3.
What are the key properties of 3-ethyl-5-phenoxybenzaldehyde?
3-ethyl-5-phenoxybenzaldehyde has a molecular weight of 226.28 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 3-ethyl-5-phenoxybenzaldehyde is sourced from PubChem (CID 141489736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).