4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde

C10H10BrClO3 — CID 22999110

IUPAC4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1OCCBr
InChIInChI=1S/C10H10BrClO3/c1-14-9-5-7(6-13)4-8(12)10(9)15-3-2-11/h4-6H,2-3H2,1H3
InChIKeyPLYXSDUZWFYNOZ-UHFFFAOYSA-N
MW293.54 g/mol
LogP2.93
Rot. Bonds5

About 4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde

4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde (PubChem CID 22999110) has the molecular formula C10H10BrClO3 and a molecular weight of 293.54 g/mol. Its IUPAC name is 4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde.

Molecular Properties

Compound Name4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde
PubChem CID22999110
Molecular FormulaC10H10BrClO3
Molecular Weight293.54 g/mol
Exact Mass291.95
IUPAC Name4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1OCCBr
InChIInChI=1S/C10H10BrClO3/c1-14-9-5-7(6-13)4-8(12)10(9)15-3-2-11/h4-6H,2-3H2,1H3
InChIKeyPLYXSDUZWFYNOZ-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.54
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde 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

3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde
CID 22999184
3-chloro-4-(2-ethylsulfonylethoxy)-5-methoxybenzaldehyde
CID 43807823
3-chloro-5-methoxy-4-(2-propoxyethoxy)benzaldehyde
CID 106453019
3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide
CID 62326853
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
4-[(E)-but-2-enoxy]-3-chloro-5-methoxybenzaldehyde
CID 43114907
3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
CID 60922279
3-chloro-4-(2-hydroxy-3-methoxypropoxy)-5-methoxybenzaldehyde
CID 63930082
3-chloro-4-(2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 60887072
3-chloro-4-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxybenzaldehyde
CID 106438560
3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 62625897
3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 20992812

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde?
The IUPAC name of 4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde (CID 22999110) is 4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde.
What is the SMILES notation for 4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde?
The canonical SMILES for 4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde is COc1cc(C=O)cc(Cl)c1OCCBr.
What is the InChIKey of 4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde?
The InChIKey is PLYXSDUZWFYNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO3/c1-14-9-5-7(6-13)4-8(12)10(9)15-3-2-11/h4-6H,2-3H2,1H3.
What are the key properties of 4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde?
4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde has a molecular weight of 293.54 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde is sourced from PubChem (CID 22999110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).