3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde

C15H12ClFO3 — CID 115955681

IUPAC3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2c(Cl)cccc2C=O)cc1F
InChIInChI=1S/C15H12ClFO3/c1-19-14-6-5-10(7-13(14)17)9-20-15-11(8-18)3-2-4-12(15)16/h2-8H,9H2,1H3
InChIKeyBJOPVOQYYPXWQZ-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.88
Rot. Bonds5

About 3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde

3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde (PubChem CID 115955681) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is 3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
PubChem CID115955681
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2c(Cl)cccc2C=O)cc1F
InChIInChI=1S/C15H12ClFO3/c1-19-14-6-5-10(7-13(14)17)9-20-15-11(8-18)3-2-4-12(15)16/h2-8H,9H2,1H3
InChIKeyBJOPVOQYYPXWQZ-UHFFFAOYSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.88
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

[3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 115951940
2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 889254
3-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 102876870
3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde
CID 112611434
3-[(2-chloro-6-formylphenoxy)methyl]-4-methoxybenzonitrile
CID 115955624
3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 103850009
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 8534779
4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde
CID 87502246
3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde
CID 112611220
2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde
CID 60790504
3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxybenzonitrile
CID 7893328
3-chloro-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 112611328

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde?
The IUPAC name of 3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde (CID 115955681) is 3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde is COc1ccc(COc2c(Cl)cccc2C=O)cc1F.
What is the InChIKey of 3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde?
The InChIKey is BJOPVOQYYPXWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c1-19-14-6-5-10(7-13(14)17)9-20-15-11(8-18)3-2-4-12(15)16/h2-8H,9H2,1H3.
What are the key properties of 3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde?
3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde has a molecular weight of 294.71 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 115955681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).