4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde

C15H11ClF2O3 — CID 58086251

IUPAC4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(F)cc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C15H11ClF2O3/c1-20-14-4-10(7-19)13(18)6-15(14)21-8-9-2-3-11(16)5-12(9)17/h2-7H,8H2,1H3
InChIKeyDZYZMXXRUFLNHR-UHFFFAOYSA-N
MW312.70 g/mol
LogP4.02
Rot. Bonds5

About 4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde

4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde (PubChem CID 58086251) has the molecular formula C15H11ClF2O3 and a molecular weight of 312.70 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde
PubChem CID58086251
Molecular FormulaC15H11ClF2O3
Molecular Weight312.70 g/mol
Exact Mass312.04
IUPAC Name4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(F)cc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C15H11ClF2O3/c1-20-14-4-10(7-19)13(18)6-15(14)21-8-9-2-3-11(16)5-12(9)17/h2-7H,8H2,1H3
InChIKeyDZYZMXXRUFLNHR-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 54.02
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

2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697199
2-fluoro-4-methoxy-5-propoxybenzaldehyde
CID 22145775
2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 883669
4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
CID 114849372
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde
CID 63324787
[3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 114847771
5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde
CID 60734242
4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde
CID 143384104
3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde
CID 102876852
1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 114849366
1,4-dichloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102879421
4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 143085806

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde (CID 58086251) is 4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde is COc1cc(C=O)c(F)cc1OCc1ccc(Cl)cc1F.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde?
The InChIKey is DZYZMXXRUFLNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O3/c1-20-14-4-10(7-19)13(18)6-15(14)21-8-9-2-3-11(16)5-12(9)17/h2-7H,8H2,1H3.
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde?
4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde has a molecular weight of 312.70 g/mol, XLogP of 4.02, 5 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]-2-fluoro-5-methoxybenzaldehyde is sourced from PubChem (CID 58086251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).