5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde

C11H13BrO2 — CID 83901418

IUPAC5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde
SMILESCc1cc(Br)cc(C=O)c1OC(C)C
InChIInChI=1S/C11H13BrO2/c1-7(2)14-11-8(3)4-10(12)5-9(11)6-13/h4-7H,1-3H3
InChIKeyMVQWVONFCWUVPZ-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.36
Rot. Bonds3

About 5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde

5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde (PubChem CID 83901418) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde.

Molecular Properties

Compound Name5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde
PubChem CID83901418
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde
SMILESCc1cc(Br)cc(C=O)c1OC(C)C
InChIInChI=1S/C11H13BrO2/c1-7(2)14-11-8(3)4-10(12)5-9(11)6-13/h4-7H,1-3H3
InChIKeyMVQWVONFCWUVPZ-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.36
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

5-bromo-3-methyl-2-(3-methylbutoxy)benzaldehyde
CID 112620578
2-(4-bromo-2-formyl-6-methylphenoxy)butanamide
CID 112620734
ethyl 2-(4-bromo-2-formyl-6-methylphenoxy)butanoate
CID 112620595
5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 115961814
5-bromo-2-[(E)-but-2-enoxy]-3-methylbenzaldehyde
CID 112620685
5-bromo-2-(3-hydroxypropoxy)-3-methylbenzaldehyde
CID 112620620
2-[2-(4-bromo-2-formyl-6-methylphenoxy)ethoxy]propanenitrile
CID 114266287
5-bromo-2-hydroxy-3-methylbenzaldehyde
CID 2757016
5-bromo-3-methyl-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 112620733
5-bromo-2-but-3-ynoxy-3-methylbenzaldehyde
CID 112620590
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335
2-(4-bromo-2-formyl-6-methylphenoxy)-N-butan-2-ylacetamide
CID 112620746

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde?
The IUPAC name of 5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde (CID 83901418) is 5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde.
What is the SMILES notation for 5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde?
The canonical SMILES for 5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde is Cc1cc(Br)cc(C=O)c1OC(C)C.
What is the InChIKey of 5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde?
The InChIKey is MVQWVONFCWUVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-7(2)14-11-8(3)4-10(12)5-9(11)6-13/h4-7H,1-3H3.
What are the key properties of 5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde?
5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde has a molecular weight of 257.13 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde is sourced from PubChem (CID 83901418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).