2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde

C13H15BrO3 — CID 60874336

IUPAC2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
SMILESC=C(Br)COc1cc(OCCC)ccc1C=O
InChIInChI=1S/C13H15BrO3/c1-3-6-16-12-5-4-11(8-15)13(7-12)17-9-10(2)14/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyXUMHFCLJFRZZTE-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.58
Rot. Bonds7

About 2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde

2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde (PubChem CID 60874336) has the molecular formula C13H15BrO3 and a molecular weight of 299.16 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
PubChem CID60874336
Molecular FormulaC13H15BrO3
Molecular Weight299.16 g/mol
Exact Mass298.02
IUPAC Name2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
SMILESC=C(Br)COc1cc(OCCC)ccc1C=O
InChIInChI=1S/C13H15BrO3/c1-3-6-16-12-5-4-11(8-15)13(7-12)17-9-10(2)14/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyXUMHFCLJFRZZTE-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.58
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

2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde
CID 61230234
butyl 2-(2-formyl-5-propoxyphenoxy)acetate
CID 60644190
N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 43388307
2-(2-ethyl-2-hydroxybutoxy)-4-propoxybenzaldehyde
CID 114493979
3-(2-formyl-5-propoxyphenoxy)-2,2-dimethylpropanoic acid
CID 79623386
2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343
2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43388394
2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
CID 114525440
2-(3-ethylsulfonylpropoxy)-4-propoxybenzaldehyde
CID 65092966
N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960500
2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9017740
2-(cyclobutylmethoxy)-4-propoxybenzaldehyde
CID 65459200

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde?
The IUPAC name of 2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde (CID 60874336) is 2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde.
What is the SMILES notation for 2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde?
The canonical SMILES for 2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde is C=C(Br)COc1cc(OCCC)ccc1C=O.
What is the InChIKey of 2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde?
The InChIKey is XUMHFCLJFRZZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO3/c1-3-6-16-12-5-4-11(8-15)13(7-12)17-9-10(2)14/h4-5,7-8H,2-3,6,9H2,1H3.
What are the key properties of 2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde?
2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde has a molecular weight of 299.16 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde is sourced from PubChem (CID 60874336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).