3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde

C15H11ClF2O3 — CID 122475460

IUPAC3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde
SMILESO=Cc1ccc(OC(F)F)c(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H11ClF2O3/c16-12-4-1-10(2-5-12)9-20-14-7-11(8-19)3-6-13(14)21-15(17)18/h1-8,15H,9H2
InChIKeyZEVJZULBTKMVHH-UHFFFAOYSA-N
MW312.70 g/mol
LogP4.33
Rot. Bonds6

About 3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde

3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde (PubChem CID 122475460) has the molecular formula C15H11ClF2O3 and a molecular weight of 312.70 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde
PubChem CID122475460
Molecular FormulaC15H11ClF2O3
Molecular Weight312.70 g/mol
Exact Mass312.04
IUPAC Name3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde
SMILESO=Cc1ccc(OC(F)F)c(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H11ClF2O3/c16-12-4-1-10(2-5-12)9-20-14-7-11(8-19)3-6-13(14)21-15(17)18/h1-8,15H,9H2
InChIKeyZEVJZULBTKMVHH-UHFFFAOYSA-N
XLogP4.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 54.33
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-4-[(4-chlorophenyl)methoxy]benzaldehyde
CID 818787
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde
CID 19705430
3-(cyclobutylmethoxy)-4-(difluoromethoxy)benzaldehyde
CID 19705417
4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde
CID 21187955
3,4-bis[(4-nitrophenyl)methoxy]benzaldehyde
CID 50885590
4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde
CID 166639003
4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde
CID 19705426
3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 43826418
4-bromo-3-(difluoromethoxy)benzaldehyde
CID 170359480
2-fluoro-5-[(5-formyl-2-methoxyphenoxy)methyl]benzonitrile
CID 103895057
[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530246

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde (CID 122475460) is 3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde is O=Cc1ccc(OC(F)F)c(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde?
The InChIKey is ZEVJZULBTKMVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O3/c16-12-4-1-10(2-5-12)9-20-14-7-11(8-19)3-6-13(14)21-15(17)18/h1-8,15H,9H2.
What are the key properties of 3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde?
3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde has a molecular weight of 312.70 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde is sourced from PubChem (CID 122475460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).