4-(ethoxymethoxymethyl)benzaldehyde

C11H14O3 — CID 170993765

IUPAC4-(ethoxymethoxymethyl)benzaldehyde
SMILESCCOCOCc1ccc(C=O)cc1
InChIInChI=1S/C11H14O3/c1-2-13-9-14-8-11-5-3-10(7-12)4-6-11/h3-7H,2,8-9H2,1H3
InChIKeyNROBUPJMIQFUOB-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.01
Rot. Bonds6

About 4-(ethoxymethoxymethyl)benzaldehyde

4-(ethoxymethoxymethyl)benzaldehyde (PubChem CID 170993765) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-(ethoxymethoxymethyl)benzaldehyde.

Molecular Properties

Compound Name4-(ethoxymethoxymethyl)benzaldehyde
PubChem CID170993765
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-(ethoxymethoxymethyl)benzaldehyde
SMILESCCOCOCc1ccc(C=O)cc1
InChIInChI=1S/C11H14O3/c1-2-13-9-14-8-11-5-3-10(7-12)4-6-11/h3-7H,2,8-9H2,1H3
InChIKeyNROBUPJMIQFUOB-UHFFFAOYSA-N
XLogP2.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.01
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde
CID 71489124
7-(ethoxymethyl)naphthalene-2-carbaldehyde
CID 87484194
4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde
CID 123494845
4-(phosphorosooxymethyl)benzaldehyde
CID 153444491
4-(9-oxononoxymethyl)benzaldehyde
CID 10754947
ethane;[4-(ethoxymethyl)phenoxy]methyl formate
CID 155685271
3-(ethoxymethyl)-5-methylbenzaldehyde
CID 144776473
4-(ethoxymethoxy)-3-fluorobenzaldehyde
CID 107689657
1-(ethoxymethyl)-4-methylbenzene
CID 12727419
5-(ethoxymethyl)pyridine-2-carbaldehyde
CID 88594299
4-(ethylaminomethyl)benzaldehyde
CID 87956656
4-[4-(4-ethylphenyl)phenyl]benzaldehyde;formaldehyde;1-phosphorosooxyethane
CID 91380807

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethoxymethyl)benzaldehyde?
The IUPAC name of 4-(ethoxymethoxymethyl)benzaldehyde (CID 170993765) is 4-(ethoxymethoxymethyl)benzaldehyde.
What is the SMILES notation for 4-(ethoxymethoxymethyl)benzaldehyde?
The canonical SMILES for 4-(ethoxymethoxymethyl)benzaldehyde is CCOCOCc1ccc(C=O)cc1.
What is the InChIKey of 4-(ethoxymethoxymethyl)benzaldehyde?
The InChIKey is NROBUPJMIQFUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-13-9-14-8-11-5-3-10(7-12)4-6-11/h3-7H,2,8-9H2,1H3.
What are the key properties of 4-(ethoxymethoxymethyl)benzaldehyde?
4-(ethoxymethoxymethyl)benzaldehyde has a molecular weight of 194.23 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethoxymethyl)benzaldehyde is sourced from PubChem (CID 170993765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).