5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde

C12H15BrO2 — CID 84712956

IUPAC5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde
SMILESCOc1c(C(C)C)cc(Br)c(C)c1C=O
InChIInChI=1S/C12H15BrO2/c1-7(2)9-5-11(13)8(3)10(6-14)12(9)15-4/h5-7H,1-4H3
InChIKeyFXVIJEXBKLDNNJ-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.70
Rot. Bonds3

About 5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde

5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde (PubChem CID 84712956) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde
PubChem CID84712956
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde
SMILESCOc1c(C(C)C)cc(Br)c(C)c1C=O
InChIInChI=1S/C12H15BrO2/c1-7(2)9-5-11(13)8(3)10(6-14)12(9)15-4/h5-7H,1-4H3
InChIKeyFXVIJEXBKLDNNJ-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.70
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-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)propanal
CID 117481967
1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanone
CID 117459118
6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde
CID 11266173
2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol
CID 117486740
3-bromo-5-chloro-2,6-dimethylbenzaldehyde
CID 84737534
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde
CID 11097704
2-(5-bromo-2-hydroxy-3-methoxy-4-methylphenyl)propanoic acid
CID 117466832
2-bromo-3,5,6-trimethoxy-4-methylbenzaldehyde
CID 11403516
6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84710112
2,3-dibromo-5,6-dimethoxybenzaldehyde
CID 7172125
3-bromo-2-methoxy-6-methylsulfanylbenzaldehyde
CID 11265458

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde?
The IUPAC name of 5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde (CID 84712956) is 5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde.
What is the SMILES notation for 5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde?
The canonical SMILES for 5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde is COc1c(C(C)C)cc(Br)c(C)c1C=O.
What is the InChIKey of 5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde?
The InChIKey is FXVIJEXBKLDNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-7(2)9-5-11(13)8(3)10(6-14)12(9)15-4/h5-7H,1-4H3.
What are the key properties of 5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde?
5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde has a molecular weight of 271.15 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde is sourced from PubChem (CID 84712956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).