4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde

C20H15BrO2 — CID 170459869

IUPAC4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C20H15BrO2/c21-19-11-10-18(17-8-6-15(13-22)7-9-17)12-20(19)23-14-16-4-2-1-3-5-16/h1-13H,14H2
InChIKeyJFPCKYJVNKVGNJ-UHFFFAOYSA-N
MW367.24 g/mol
LogP5.51
Rot. Bonds5

About 4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde

4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde (PubChem CID 170459869) has the molecular formula C20H15BrO2 and a molecular weight of 367.24 g/mol. Its IUPAC name is 4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde
PubChem CID170459869
Molecular FormulaC20H15BrO2
Molecular Weight367.24 g/mol
Exact Mass366.03
IUPAC Name4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C20H15BrO2/c21-19-11-10-18(17-8-6-15(13-22)7-9-17)12-20(19)23-14-16-4-2-1-3-5-16/h1-13H,14H2
InChIKeyJFPCKYJVNKVGNJ-UHFFFAOYSA-N
XLogP5.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-formyl-2-phenylmethoxybenzoic acid
CID 969870
1-bromo-4-iodo-2-phenylmethoxybenzene
CID 11516618
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde
CID 101137305
3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde
CID 22716790
3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzaldehyde
CID 101265735
3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde
CID 107738219
bis(5-formyl-2-phenylmethoxyphenyl)iodanium bromide
CID 11204409
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde
CID 22456878
4-phenylmethoxynaphthalene-2-carbaldehyde
CID 71757507

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde?
The IUPAC name of 4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde (CID 170459869) is 4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde.
What is the SMILES notation for 4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde?
The canonical SMILES for 4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde is O=Cc1ccc(-c2ccc(Br)c(OCc3ccccc3)c2)cc1.
What is the InChIKey of 4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde?
The InChIKey is JFPCKYJVNKVGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrO2/c21-19-11-10-18(17-8-6-15(13-22)7-9-17)12-20(19)23-14-16-4-2-1-3-5-16/h1-13H,14H2.
What are the key properties of 4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde?
4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde has a molecular weight of 367.24 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde is sourced from PubChem (CID 170459869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).