3-bromo-2-chloro-5-propan-2-ylbenzaldehyde

C10H10BrClO — CID 163198279

IUPAC3-bromo-2-chloro-5-propan-2-ylbenzaldehyde
SMILESCC(C)c1cc(Br)c(Cl)c(C=O)c1
InChIInChI=1S/C10H10BrClO/c1-6(2)7-3-8(5-13)10(12)9(11)4-7/h3-6H,1-2H3
InChIKeyFIAPGACDTKIDIT-UHFFFAOYSA-N
MW261.55 g/mol
LogP4.04
Rot. Bonds2

About 3-bromo-2-chloro-5-propan-2-ylbenzaldehyde

3-bromo-2-chloro-5-propan-2-ylbenzaldehyde (PubChem CID 163198279) has the molecular formula C10H10BrClO and a molecular weight of 261.55 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name3-bromo-2-chloro-5-propan-2-ylbenzaldehyde
PubChem CID163198279
Molecular FormulaC10H10BrClO
Molecular Weight261.55 g/mol
Exact Mass259.96
IUPAC Name3-bromo-2-chloro-5-propan-2-ylbenzaldehyde
SMILESCC(C)c1cc(Br)c(Cl)c(C=O)c1
InChIInChI=1S/C10H10BrClO/c1-6(2)7-3-8(5-13)10(12)9(11)4-7/h3-6H,1-2H3
InChIKeyFIAPGACDTKIDIT-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-chloro-5-fluorobenzaldehyde
CID 118797003
2-chloro-5-propan-2-ylbenzaldehyde;methanamine
CID 168894459
2-bromo-6-chloro-4-propan-2-ylaniline
CID 164890757
2-hydroxy-3-methyl-5-propan-2-ylbenzaldehyde
CID 71330905
5-bromo-3-chloro-2,4-dihydroxybenzaldehyde
CID 14832396
3-(3-bromo-4-chloro-5-fluorophenyl)butanal
CID 117448552
2-bromo-4-(difluoromethyl)benzaldehyde
CID 84698198
1,2,3-trichloro-5-propan-2-ylbenzene
CID 20811691
2-ethyl-5-propan-2-ylbenzaldehyde
CID 105436611
2-methyl-5-propan-2-ylpyridine-3-carbaldehyde
CID 83914317
5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 115961814
5-bromo-4-chloro-2-methylbenzaldehyde
CID 84796500

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-propan-2-ylbenzaldehyde?
The IUPAC name of 3-bromo-2-chloro-5-propan-2-ylbenzaldehyde (CID 163198279) is 3-bromo-2-chloro-5-propan-2-ylbenzaldehyde.
What is the SMILES notation for 3-bromo-2-chloro-5-propan-2-ylbenzaldehyde?
The canonical SMILES for 3-bromo-2-chloro-5-propan-2-ylbenzaldehyde is CC(C)c1cc(Br)c(Cl)c(C=O)c1.
What is the InChIKey of 3-bromo-2-chloro-5-propan-2-ylbenzaldehyde?
The InChIKey is FIAPGACDTKIDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO/c1-6(2)7-3-8(5-13)10(12)9(11)4-7/h3-6H,1-2H3.
What are the key properties of 3-bromo-2-chloro-5-propan-2-ylbenzaldehyde?
3-bromo-2-chloro-5-propan-2-ylbenzaldehyde has a molecular weight of 261.55 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-propan-2-ylbenzaldehyde is sourced from PubChem (CID 163198279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).