6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde

C12H15BrO3 — CID 11266173

IUPAC6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde
SMILESCOc1c(C)c(OC(C)C)cc(Br)c1C=O
InChIInChI=1S/C12H15BrO3/c1-7(2)16-11-5-10(13)9(6-14)12(15-4)8(11)3/h5-7H,1-4H3
InChIKeyWNHBVMAFHKHSCX-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.37
Rot. Bonds4

About 6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde

6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde (PubChem CID 11266173) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde.

Molecular Properties

Compound Name6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde
PubChem CID11266173
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde
SMILESCOc1c(C)c(OC(C)C)cc(Br)c1C=O
InChIInChI=1S/C12H15BrO3/c1-7(2)16-11-5-10(13)9(6-14)12(15-4)8(11)3/h5-7H,1-4H3
InChIKeyWNHBVMAFHKHSCX-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.37
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

5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde
CID 84712956
2,3-dibromo-5,6-dimethoxybenzaldehyde
CID 7172125
2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde
CID 11097704
2-bromo-3,5,6-trimethoxy-4-methylbenzaldehyde
CID 11403516
2-bromo-4-propan-2-yloxybenzaldehyde
CID 104573949
3-bromo-2-methoxy-6-methylsulfanylbenzaldehyde
CID 11265458
3-bromo-4-propan-2-yloxybenzaldehyde
CID 3832843
3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde
CID 15410462
2,3,6-trimethoxy-4,5-dimethylbenzaldehyde
CID 10775498
2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde
CID 10798490
6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde
CID 117466700
2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde
CID 17311099

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde?
The IUPAC name of 6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde (CID 11266173) is 6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde.
What is the SMILES notation for 6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde?
The canonical SMILES for 6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde is COc1c(C)c(OC(C)C)cc(Br)c1C=O.
What is the InChIKey of 6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde?
The InChIKey is WNHBVMAFHKHSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-7(2)16-11-5-10(13)9(6-14)12(15-4)8(11)3/h5-7H,1-4H3.
What are the key properties of 6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde?
6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde has a molecular weight of 287.15 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde is sourced from PubChem (CID 11266173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).