4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde

C16H14ClFO3 — CID 114849372

IUPAC4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C16H14ClFO3/c1-2-20-16-7-11(9-19)3-6-15(16)21-10-12-4-5-13(17)8-14(12)18/h3-9H,2,10H2,1H3
InChIKeyARZHWNWVOLZRRX-UHFFFAOYSA-N
MW308.74 g/mol
LogP4.27
Rot. Bonds6

About 4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde

4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde (PubChem CID 114849372) has the molecular formula C16H14ClFO3 and a molecular weight of 308.74 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
PubChem CID114849372
Molecular FormulaC16H14ClFO3
Molecular Weight308.74 g/mol
Exact Mass308.06
IUPAC Name4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C16H14ClFO3/c1-2-20-16-7-11(9-19)3-6-15(16)21-10-12-4-5-13(17)8-14(12)18/h3-9H,2,10H2,1H3
InChIKeyARZHWNWVOLZRRX-UHFFFAOYSA-N
XLogP4.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde
CID 114849387
3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde
CID 102876852
3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 78767323
4-[3-(4-chlorophenoxy)propoxy]-3-ethoxybenzaldehyde
CID 2219732
2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697199
4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde
CID 58086251
4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 143085806
(NZ)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydroxylamine
CID 5443374
3-fluoro-4-[(4-formyl-2-methoxyphenoxy)methyl]benzonitrile
CID 24706374
4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-3-ethoxybenzaldehyde
CID 7611233
4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
CID 79700724
dimethyl 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]propanedioate
CID 1362230

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde (CID 114849372) is 4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde is CCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1F.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde?
The InChIKey is ARZHWNWVOLZRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO3/c1-2-20-16-7-11(9-19)3-6-15(16)21-10-12-4-5-13(17)8-14(12)18/h3-9H,2,10H2,1H3.
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde?
4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde has a molecular weight of 308.74 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde is sourced from PubChem (CID 114849372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).