3-bromo-4-propan-2-yloxybenzaldehyde

C10H11BrO2 — CID 3832843

IUPAC3-bromo-4-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1ccc(C=O)cc1Br
InChIInChI=1S/C10H11BrO2/c1-7(2)13-10-4-3-8(6-12)5-9(10)11/h3-7H,1-2H3
InChIKeyQKKWLPJYKNZGRV-UHFFFAOYSA-N
MW243.10 g/mol
LogP3.05
Rot. Bonds3

About 3-bromo-4-propan-2-yloxybenzaldehyde

3-bromo-4-propan-2-yloxybenzaldehyde (PubChem CID 3832843) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 3-bromo-4-propan-2-yloxybenzaldehyde.

Molecular Properties

Compound Name3-bromo-4-propan-2-yloxybenzaldehyde
PubChem CID3832843
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name3-bromo-4-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1ccc(C=O)cc1Br
InChIInChI=1S/C10H11BrO2/c1-7(2)13-10-4-3-8(6-12)5-9(10)11/h3-7H,1-2H3
InChIKeyQKKWLPJYKNZGRV-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.05
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

3-bromo-4-(difluoromethoxy)benzaldehyde;ethane
CID 177032368
2-bromo-4-(2-nitroethenyl)-1-propan-2-yloxybenzene
CID 2952759
4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde
CID 21187955
4-[3-(3-bromo-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]benzaldehyde
CID 59556690
(2-ethoxy-4-formylphenyl) 3-bromo-4-propan-2-yloxybenzoate
CID 23012997
3-bromo-4-(4-methylpentoxy)benzaldehyde
CID 83156913
2-(2-bromo-4-formylphenoxy)-N-butan-2-ylpropanamide
CID 60718458
3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde
CID 164893527
3-bromo-4-(3-hydroxy-2-methylpropoxy)benzaldehyde
CID 115870724
3-bromo-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde
CID 60643504
dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 140664604
(2-bromo-4-formylphenyl) butanoate
CID 87274525

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-propan-2-yloxybenzaldehyde?
The IUPAC name of 3-bromo-4-propan-2-yloxybenzaldehyde (CID 3832843) is 3-bromo-4-propan-2-yloxybenzaldehyde.
What is the SMILES notation for 3-bromo-4-propan-2-yloxybenzaldehyde?
The canonical SMILES for 3-bromo-4-propan-2-yloxybenzaldehyde is CC(C)Oc1ccc(C=O)cc1Br.
What is the InChIKey of 3-bromo-4-propan-2-yloxybenzaldehyde?
The InChIKey is QKKWLPJYKNZGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-7(2)13-10-4-3-8(6-12)5-9(10)11/h3-7H,1-2H3.
What are the key properties of 3-bromo-4-propan-2-yloxybenzaldehyde?
3-bromo-4-propan-2-yloxybenzaldehyde has a molecular weight of 243.10 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-propan-2-yloxybenzaldehyde is sourced from PubChem (CID 3832843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).