3-ethoxy-2-(3-phenylpropoxy)benzaldehyde

C18H20O3 — CID 43366508

IUPAC3-ethoxy-2-(3-phenylpropoxy)benzaldehyde
SMILESCCOc1cccc(C=O)c1OCCCc1ccccc1
InChIInChI=1S/C18H20O3/c1-2-20-17-12-6-11-16(14-19)18(17)21-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,14H,2,7,10,13H2,1H3
InChIKeyHSFULIAXQBCKTQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.91
Rot. Bonds8

About 3-ethoxy-2-(3-phenylpropoxy)benzaldehyde

3-ethoxy-2-(3-phenylpropoxy)benzaldehyde (PubChem CID 43366508) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-ethoxy-2-(3-phenylpropoxy)benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-2-(3-phenylpropoxy)benzaldehyde
PubChem CID43366508
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name3-ethoxy-2-(3-phenylpropoxy)benzaldehyde
SMILESCCOc1cccc(C=O)c1OCCCc1ccccc1
InChIInChI=1S/C18H20O3/c1-2-20-17-12-6-11-16(14-19)18(17)21-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,14H,2,7,10,13H2,1H3
InChIKeyHSFULIAXQBCKTQ-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde
CID 65175736
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
3-ethoxy-2-(2-phenylsulfanylethoxy)benzaldehyde
CID 79227554
3-(2-ethoxy-6-formylphenoxy)propanoic acid
CID 63950736
4-(2-ethoxy-6-formylphenoxy)butanenitrile
CID 43366511
3-ethoxy-2-[3-(2,2,2-trifluoroethoxy)propoxy]benzaldehyde
CID 61491424
3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565
2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde
CID 43174574
3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde
CID 155923644
5-bromo-3-methoxy-2-(3-phenylpropoxy)benzaldehyde
CID 20993049
3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 16769491
3-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde
CID 62070822

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-(3-phenylpropoxy)benzaldehyde?
The IUPAC name of 3-ethoxy-2-(3-phenylpropoxy)benzaldehyde (CID 43366508) is 3-ethoxy-2-(3-phenylpropoxy)benzaldehyde.
What is the SMILES notation for 3-ethoxy-2-(3-phenylpropoxy)benzaldehyde?
The canonical SMILES for 3-ethoxy-2-(3-phenylpropoxy)benzaldehyde is CCOc1cccc(C=O)c1OCCCc1ccccc1.
What is the InChIKey of 3-ethoxy-2-(3-phenylpropoxy)benzaldehyde?
The InChIKey is HSFULIAXQBCKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-20-17-12-6-11-16(14-19)18(17)21-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,14H,2,7,10,13H2,1H3.
What are the key properties of 3-ethoxy-2-(3-phenylpropoxy)benzaldehyde?
3-ethoxy-2-(3-phenylpropoxy)benzaldehyde has a molecular weight of 284.36 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-(3-phenylpropoxy)benzaldehyde is sourced from PubChem (CID 43366508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).