3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde

C15H10BrF3O3 — CID 162531112

IUPAC3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde
SMILESO=Cc1cc(Br)c(OCc2ccccc2)c(OC(F)(F)F)c1
InChIInChI=1S/C15H10BrF3O3/c16-12-6-11(8-20)7-13(22-15(17,18)19)14(12)21-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyYGGJUBLSFHTEEM-UHFFFAOYSA-N
MW375.14 g/mol
LogP4.74
Rot. Bonds5

About 3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde

3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde (PubChem CID 162531112) has the molecular formula C15H10BrF3O3 and a molecular weight of 375.14 g/mol. Its IUPAC name is 3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde
PubChem CID162531112
Molecular FormulaC15H10BrF3O3
Molecular Weight375.14 g/mol
Exact Mass373.98
IUPAC Name3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde
SMILESO=Cc1cc(Br)c(OCc2ccccc2)c(OC(F)(F)F)c1
InChIInChI=1S/C15H10BrF3O3/c16-12-6-11(8-20)7-13(22-15(17,18)19)14(12)21-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyYGGJUBLSFHTEEM-UHFFFAOYSA-N
XLogP4.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.14
LogP ≤ 54.74
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

3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzaldehyde
CID 101265735
3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde
CID 107738219
3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde
CID 162531262
3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde
CID 882013
3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde
CID 4770151
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
3,5-dibromo-4-(2,2-difluoro-2-phenylethoxy)benzaldehyde
CID 107738275
4-phenylmethoxynaphthalene-2-carbaldehyde
CID 71757507
4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene
CID 155293536
3-[(2-bromo-4-formyl-6-methoxyphenoxy)methyl]benzonitrile
CID 28690182
3,5-dibromo-4-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 107738333
3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
CID 563706

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde (CID 162531112) is 3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde is O=Cc1cc(Br)c(OCc2ccccc2)c(OC(F)(F)F)c1.
What is the InChIKey of 3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde?
The InChIKey is YGGJUBLSFHTEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3O3/c16-12-6-11(8-20)7-13(22-15(17,18)19)14(12)21-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde?
3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde has a molecular weight of 375.14 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 162531112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).