4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde

C14H10BrClO2 — CID 114064174

IUPAC4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde
SMILESCc1ccc(Oc2ccc(C=O)c(Cl)c2)c(Br)c1
InChIInChI=1S/C14H10BrClO2/c1-9-2-5-14(12(15)6-9)18-11-4-3-10(8-17)13(16)7-11/h2-8H,1H3
InChIKeyFIFWTQPZMFLHCO-UHFFFAOYSA-N
MW325.59 g/mol
LogP5.02
Rot. Bonds3

About 4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde

4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde (PubChem CID 114064174) has the molecular formula C14H10BrClO2 and a molecular weight of 325.59 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde
PubChem CID114064174
Molecular FormulaC14H10BrClO2
Molecular Weight325.59 g/mol
Exact Mass323.96
IUPAC Name4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde
SMILESCc1ccc(Oc2ccc(C=O)c(Cl)c2)c(Br)c1
InChIInChI=1S/C14H10BrClO2/c1-9-2-5-14(12(15)6-9)18-11-4-3-10(8-17)13(16)7-11/h2-8H,1H3
InChIKeyFIFWTQPZMFLHCO-UHFFFAOYSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.59
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol
CID 114064332
2-chloro-4-(3,4-dichlorophenoxy)benzaldehyde
CID 114064183
4-(2-bromo-4-methoxyphenoxy)-2-nitrobenzaldehyde
CID 177352375
2-bromo-1-(4-fluorophenoxy)-4-methylbenzene
CID 59982340
ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde
CID 143820051
2-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 114064170
3-(2-bromo-4-methylphenoxy)benzoic acid
CID 63941894
4-(2-bromo-4-methylphenoxy)-2-methylbenzamide
CID 81273209
2-bromo-1-[4-(bromomethyl)phenoxy]-4-methylbenzene
CID 107087378
4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
CID 55232767
2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde
CID 114064189
2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide
CID 79467353

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde (CID 114064174) is 4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde is Cc1ccc(Oc2ccc(C=O)c(Cl)c2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde?
The InChIKey is FIFWTQPZMFLHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO2/c1-9-2-5-14(12(15)6-9)18-11-4-3-10(8-17)13(16)7-11/h2-8H,1H3.
What are the key properties of 4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde?
4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde has a molecular weight of 325.59 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde is sourced from PubChem (CID 114064174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).