2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde

C11H11BrO3 — CID 61230234

IUPAC2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde
SMILESC=C(Br)COc1cc(OC)ccc1C=O
InChIInChI=1S/C11H11BrO3/c1-8(12)7-15-11-5-10(14-2)4-3-9(11)6-13/h3-6H,1,7H2,2H3
InChIKeyQVHCOXAPTBGAPB-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.80
Rot. Bonds5

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

2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde (PubChem CID 61230234) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde
PubChem CID61230234
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde
SMILESC=C(Br)COc1cc(OC)ccc1C=O
InChIInChI=1S/C11H11BrO3/c1-8(12)7-15-11-5-10(14-2)4-3-9(11)6-13/h3-6H,1,7H2,2H3
InChIKeyQVHCOXAPTBGAPB-UHFFFAOYSA-N
XLogP2.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.80
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-chloroprop-2-enoxy)-4-methoxybenzaldehyde
CID 60746518
2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
CID 60874336
2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid
CID 61379603
2-(5-hydroxypentoxy)-4-methoxybenzaldehyde
CID 55053388
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
3-(2-formyl-5-methoxyphenoxy)propanamide
CID 61268492
(1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 82001145
2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde
CID 61269601
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984228
2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984839
ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate
CID 146282312

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde?
The IUPAC name of 2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde (CID 61230234) is 2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde.
What is the SMILES notation for 2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde?
The canonical SMILES for 2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde is C=C(Br)COc1cc(OC)ccc1C=O.
What is the InChIKey of 2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde?
The InChIKey is QVHCOXAPTBGAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c1-8(12)7-15-11-5-10(14-2)4-3-9(11)6-13/h3-6H,1,7H2,2H3.
What are the key properties of 2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde?
2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde has a molecular weight of 271.11 g/mol, XLogP of 2.80, 5 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-methoxybenzaldehyde is sourced from PubChem (CID 61230234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).