4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde

C15H12BrFO3 — CID 103523706

IUPAC4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde
SMILESCOc1ccc(-c2ccc(C=O)c(F)c2)c(OC)c1Br
InChIInChI=1S/C15H12BrFO3/c1-19-13-6-5-11(15(20-2)14(13)16)9-3-4-10(8-18)12(17)7-9/h3-8H,1-2H3
InChIKeyOUQJLGBLPCLMRB-UHFFFAOYSA-N
MW339.16 g/mol
LogP4.08
Rot. Bonds4

About 4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde

4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde (PubChem CID 103523706) has the molecular formula C15H12BrFO3 and a molecular weight of 339.16 g/mol. Its IUPAC name is 4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde
PubChem CID103523706
Molecular FormulaC15H12BrFO3
Molecular Weight339.16 g/mol
Exact Mass338.00
IUPAC Name4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde
SMILESCOc1ccc(-c2ccc(C=O)c(F)c2)c(OC)c1Br
InChIInChI=1S/C15H12BrFO3/c1-19-13-6-5-11(15(20-2)14(13)16)9-3-4-10(8-18)12(17)7-9/h3-8H,1-2H3
InChIKeyOUQJLGBLPCLMRB-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 54.08
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

4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde
CID 114060111
2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde
CID 54910260
5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde
CID 103523707
5-(4-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 74891133
4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde
CID 164891680
2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde
CID 114270433
2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde
CID 115502475
2-fluoro-4-(3-methoxy-1,2-thiazol-4-yl)benzaldehyde
CID 165455699
2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline
CID 61025129
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine
CID 103523994
5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde
CID 54912704

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde?
The IUPAC name of 4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde (CID 103523706) is 4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde.
What is the SMILES notation for 4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde?
The canonical SMILES for 4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde is COc1ccc(-c2ccc(C=O)c(F)c2)c(OC)c1Br.
What is the InChIKey of 4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde?
The InChIKey is OUQJLGBLPCLMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO3/c1-19-13-6-5-11(15(20-2)14(13)16)9-3-4-10(8-18)12(17)7-9/h3-8H,1-2H3.
What are the key properties of 4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde?
4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde has a molecular weight of 339.16 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde is sourced from PubChem (CID 103523706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).