3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde

C10H8BrClO2 — CID 60644525

IUPAC3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde
SMILESC=C(Cl)COc1ccc(C=O)cc1Br
InChIInChI=1S/C10H8BrClO2/c1-7(12)6-14-10-3-2-8(5-13)4-9(10)11/h2-5H,1,6H2
InChIKeyBEIDCVPVQWEHNH-UHFFFAOYSA-N
MW275.53 g/mol
LogP3.39
Rot. Bonds4

About 3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde

3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde (PubChem CID 60644525) has the molecular formula C10H8BrClO2 and a molecular weight of 275.53 g/mol. Its IUPAC name is 3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde.

Molecular Properties

Compound Name3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde
PubChem CID60644525
Molecular FormulaC10H8BrClO2
Molecular Weight275.53 g/mol
Exact Mass273.94
IUPAC Name3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde
SMILESC=C(Cl)COc1ccc(C=O)cc1Br
InChIInChI=1S/C10H8BrClO2/c1-7(12)6-14-10-3-2-8(5-13)4-9(10)11/h2-5H,1,6H2
InChIKeyBEIDCVPVQWEHNH-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 53.39
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-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde
CID 55206244
2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide
CID 60623792
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 4288065
2-(2-bromo-4-formylphenoxy)-N-propylacetamide
CID 55025685
3-bromo-4-prop-2-ynoxybenzaldehyde
CID 2161996
3-bromo-4-(2-methoxyethoxy)benzaldehyde
CID 60698673
N-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide
CID 23740858
3-bromo-4-(4,4,4-trifluorobutoxy)benzaldehyde
CID 115514041
3-bromo-4-(3-hydroxy-2-methylpropoxy)benzaldehyde
CID 115870724
1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 63044631
N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55146050
4-[(2-bromo-4-formylphenoxy)methyl]benzoate
CID 4745765

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde?
The IUPAC name of 3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde (CID 60644525) is 3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde.
What is the SMILES notation for 3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde?
The canonical SMILES for 3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde is C=C(Cl)COc1ccc(C=O)cc1Br.
What is the InChIKey of 3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde?
The InChIKey is BEIDCVPVQWEHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClO2/c1-7(12)6-14-10-3-2-8(5-13)4-9(10)11/h2-5H,1,6H2.
What are the key properties of 3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde?
3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde has a molecular weight of 275.53 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde is sourced from PubChem (CID 60644525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).