2-ethoxybenzaldehyde;hydrofluoride

C9H11FO2 — CID 157329385

IUPAC2-ethoxybenzaldehyde;hydrofluoride
SMILESCCOc1ccccc1C=O.F
InChIInChI=1S/C9H10O2.FH/c1-2-11-9-6-4-3-5-8(9)7-10;/h3-7H,2H2,1H3;1H
InChIKeyKUIWRMMHLMAFSB-UHFFFAOYSA-N
MW170.18 g/mol
LogP2.05
Rot. Bonds3

About 2-ethoxybenzaldehyde;hydrofluoride

2-ethoxybenzaldehyde;hydrofluoride (PubChem CID 157329385) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 2-ethoxybenzaldehyde;hydrofluoride.

Molecular Properties

Compound Name2-ethoxybenzaldehyde;hydrofluoride
PubChem CID157329385
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name2-ethoxybenzaldehyde;hydrofluoride
SMILESCCOc1ccccc1C=O.F
InChIInChI=1S/C9H10O2.FH/c1-2-11-9-6-4-3-5-8(9)7-10;/h3-7H,2H2,1H3;1H
InChIKeyKUIWRMMHLMAFSB-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 52.05
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-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
sodium 2-ethoxy-6-formylphenolate
CID 102504150
ethyl (2-formylphenoxy)methyl carbonate
CID 87319171
3-ethoxynaphthalene-2-carbaldehyde
CID 131351894
ethane;methoxyethane;2-prop-2-ynoxybenzaldehyde
CID 145109455
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
2-(2-hydroxy-2-methylpropoxy)benzaldehyde
CID 60884222
[(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid
CID 81222532
(E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal
CID 94269992
2-[(E)-3-diethoxyphosphorylprop-2-enoxy]benzaldehyde
CID 135078263
2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
2-(3-phenoxypropoxy)benzaldehyde
CID 60665355

Frequently Asked Questions

What is the IUPAC name of 2-ethoxybenzaldehyde;hydrofluoride?
The IUPAC name of 2-ethoxybenzaldehyde;hydrofluoride (CID 157329385) is 2-ethoxybenzaldehyde;hydrofluoride.
What is the SMILES notation for 2-ethoxybenzaldehyde;hydrofluoride?
The canonical SMILES for 2-ethoxybenzaldehyde;hydrofluoride is CCOc1ccccc1C=O.F.
What is the InChIKey of 2-ethoxybenzaldehyde;hydrofluoride?
The InChIKey is KUIWRMMHLMAFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.FH/c1-2-11-9-6-4-3-5-8(9)7-10;/h3-7H,2H2,1H3;1H.
What are the key properties of 2-ethoxybenzaldehyde;hydrofluoride?
2-ethoxybenzaldehyde;hydrofluoride has a molecular weight of 170.18 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybenzaldehyde;hydrofluoride is sourced from PubChem (CID 157329385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).