2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde

C15H12F2O3 — CID 170431907

IUPAC2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2c(F)ccc(C=O)c2F)cc1
InChIInChI=1S/C15H12F2O3/c1-19-12-5-2-10(3-6-12)9-20-15-13(16)7-4-11(8-18)14(15)17/h2-8H,9H2,1H3
InChIKeyKKRCKHSDZDUUHT-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.36
Rot. Bonds5

About 2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde

2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde (PubChem CID 170431907) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde
PubChem CID170431907
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2c(F)ccc(C=O)c2F)cc1
InChIInChI=1S/C15H12F2O3/c1-19-12-5-2-10(3-6-12)9-20-15-13(16)7-4-11(8-18)14(15)17/h2-8H,9H2,1H3
InChIKeyKKRCKHSDZDUUHT-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.36
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-difluoro-3-phenylmethoxybenzaldehyde
CID 74891943
2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde
CID 88918697
2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 28880560
CID 90127615
CID 90127615
[5-[2,4-difluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazol-3-yl]methanol
CID 170431668
2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 58990542
2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 118663690
2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 89250965
2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 889254
1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79881861
sodium;1-(chloromethyl)-4-methoxybenzene;3,5-dihydroxy-4-[(4-methoxyphenyl)methoxy]benzaldehyde;hydride;3,4,5-trihydroxybenzaldehyde
CID 165023921

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde?
The IUPAC name of 2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde (CID 170431907) is 2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde?
The canonical SMILES for 2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde is COc1ccc(COc2c(F)ccc(C=O)c2F)cc1.
What is the InChIKey of 2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde?
The InChIKey is KKRCKHSDZDUUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-19-12-5-2-10(3-6-12)9-20-15-13(16)7-4-11(8-18)14(15)17/h2-8H,9H2,1H3.
What are the key properties of 2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde?
2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde has a molecular weight of 278.25 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 170431907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).