3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde

C17H18O4 — CID 155923644

IUPAC3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde
SMILESCOCCOc1cccc(C=O)c1OCc1ccccc1
InChIInChI=1S/C17H18O4/c1-19-10-11-20-16-9-5-8-15(12-18)17(16)21-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3
InChIKeyOAENUHYLKJRKSR-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.10
Rot. Bonds8

About 3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde

3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde (PubChem CID 155923644) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde
PubChem CID155923644
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde
SMILESCOCCOc1cccc(C=O)c1OCc1ccccc1
InChIInChI=1S/C17H18O4/c1-19-10-11-20-16-9-5-8-15(12-18)17(16)21-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3
InChIKeyOAENUHYLKJRKSR-UHFFFAOYSA-N
XLogP3.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
2-(2-methoxyethoxy)-3-propoxybenzaldehyde
CID 86623125
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
2-phenylmethoxy-3-prop-1-enylbenzaldehyde
CID 139673280
2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 889254
3-ethoxy-2-(3-phenylpropoxy)benzaldehyde
CID 43366508
4-(2-methoxyethoxy)anthracene-1-carbaldehyde
CID 19738626
1-ethenyl-2-methoxy-3-phenylmethoxybenzene
CID 23251754
2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde
CID 43174574
3-bromo-2-(3-methyl-2-phenylmethoxyphenoxy)benzaldehyde
CID 156873184
3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699930
2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde
CID 158370416

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde?
The IUPAC name of 3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde (CID 155923644) is 3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde.
What is the SMILES notation for 3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde?
The canonical SMILES for 3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde is COCCOc1cccc(C=O)c1OCc1ccccc1.
What is the InChIKey of 3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde?
The InChIKey is OAENUHYLKJRKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-10-11-20-16-9-5-8-15(12-18)17(16)21-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde?
3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde has a molecular weight of 286.33 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde is sourced from PubChem (CID 155923644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).