6-bromo-3-methoxy-2-propoxybenzaldehyde

C11H13BrO3 — CID 66529298

IUPAC6-bromo-3-methoxy-2-propoxybenzaldehyde
SMILESCCCOc1c(OC)ccc(Br)c1C=O
InChIInChI=1S/C11H13BrO3/c1-3-6-15-11-8(7-13)9(12)4-5-10(11)14-2/h4-5,7H,3,6H2,1-2H3
InChIKeyPQSPUZKIXRSOOZ-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.06
Rot. Bonds5

About 6-bromo-3-methoxy-2-propoxybenzaldehyde

6-bromo-3-methoxy-2-propoxybenzaldehyde (PubChem CID 66529298) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 6-bromo-3-methoxy-2-propoxybenzaldehyde.

Molecular Properties

Compound Name6-bromo-3-methoxy-2-propoxybenzaldehyde
PubChem CID66529298
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name6-bromo-3-methoxy-2-propoxybenzaldehyde
SMILESCCCOc1c(OC)ccc(Br)c1C=O
InChIInChI=1S/C11H13BrO3/c1-3-6-15-11-8(7-13)9(12)4-5-10(11)14-2/h4-5,7H,3,6H2,1-2H3
InChIKeyPQSPUZKIXRSOOZ-UHFFFAOYSA-N
XLogP3.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.06
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

6-bromo-3-methoxy-2-propoxybenzoic acid
CID 66528880
6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 66528864
(3-bromo-2-formyl-6-methoxyphenyl) acetate
CID 10192904
6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde
CID 167722100
N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine
CID 66537350
4-bromo-2-methoxybenzene-1,3-dicarbaldehyde
CID 171003528
2-(3-bromo-2-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 66529290
6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde
CID 66529281
6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde
CID 25194733
N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine
CID 66537181
2-[(6-bromo-3-methoxy-2-propoxyphenyl)methylamino]ethanol
CID 66537178
2,6-dimethoxy-4-propoxybenzaldehyde
CID 138453658

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methoxy-2-propoxybenzaldehyde?
The IUPAC name of 6-bromo-3-methoxy-2-propoxybenzaldehyde (CID 66529298) is 6-bromo-3-methoxy-2-propoxybenzaldehyde.
What is the SMILES notation for 6-bromo-3-methoxy-2-propoxybenzaldehyde?
The canonical SMILES for 6-bromo-3-methoxy-2-propoxybenzaldehyde is CCCOc1c(OC)ccc(Br)c1C=O.
What is the InChIKey of 6-bromo-3-methoxy-2-propoxybenzaldehyde?
The InChIKey is PQSPUZKIXRSOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-3-6-15-11-8(7-13)9(12)4-5-10(11)14-2/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 6-bromo-3-methoxy-2-propoxybenzaldehyde?
6-bromo-3-methoxy-2-propoxybenzaldehyde has a molecular weight of 273.13 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methoxy-2-propoxybenzaldehyde is sourced from PubChem (CID 66529298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).