5-bromo-2-cyclopropyl-4-methylbenzaldehyde

C11H11BrO — CID 90394913

IUPAC5-bromo-2-cyclopropyl-4-methylbenzaldehyde
SMILESCc1cc(C2CC2)c(C=O)cc1Br
InChIInChI=1S/C11H11BrO/c1-7-4-10(8-2-3-8)9(6-13)5-11(7)12/h4-6,8H,2-3H2,1H3
InChIKeyLDWBSCRVPNQNIW-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.45
Rot. Bonds2

About 5-bromo-2-cyclopropyl-4-methylbenzaldehyde

5-bromo-2-cyclopropyl-4-methylbenzaldehyde (PubChem CID 90394913) has the molecular formula C11H11BrO and a molecular weight of 239.11 g/mol. Its IUPAC name is 5-bromo-2-cyclopropyl-4-methylbenzaldehyde.

Molecular Properties

Compound Name5-bromo-2-cyclopropyl-4-methylbenzaldehyde
PubChem CID90394913
Molecular FormulaC11H11BrO
Molecular Weight239.11 g/mol
Exact Mass238.00
IUPAC Name5-bromo-2-cyclopropyl-4-methylbenzaldehyde
SMILESCc1cc(C2CC2)c(C=O)cc1Br
InChIInChI=1S/C11H11BrO/c1-7-4-10(8-2-3-8)9(6-13)5-11(7)12/h4-6,8H,2-3H2,1H3
InChIKeyLDWBSCRVPNQNIW-UHFFFAOYSA-N
XLogP3.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.45
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

1-Bromonaphthalene-2-carbaldehyde
CID 76909
3-Bromo-2-naphthaldehyde
CID 581168
3-Bromo-4-methylbenzaldehyde
CID 816765
4-Bromo-1-naphthaldehyde
CID 4640413
2-Bromo-4-methylbenzaldehyde
CID 4645292
2-Bromo-4-tert-butylbenzaldehyde
CID 29923446
4-Bromo-3-methylbenzaldehyde
CID 10921521
4-Bromo-2,6-dimethylbenzaldehyde
CID 11020222
2-Bromo-5-methylbenzaldehyde
CID 11845896
6-Bromonaphthalene-2-carbaldehyde
CID 13477029
4-Bromo-2-methylbenzaldehyde
CID 13555150
6-bromo-5,7-dimethyl-2,3-dihydro-1H-inden-1-one
CID 14682896

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopropyl-4-methylbenzaldehyde?
The IUPAC name of 5-bromo-2-cyclopropyl-4-methylbenzaldehyde (CID 90394913) is 5-bromo-2-cyclopropyl-4-methylbenzaldehyde.
What is the SMILES notation for 5-bromo-2-cyclopropyl-4-methylbenzaldehyde?
The canonical SMILES for 5-bromo-2-cyclopropyl-4-methylbenzaldehyde is Cc1cc(C2CC2)c(C=O)cc1Br.
What is the InChIKey of 5-bromo-2-cyclopropyl-4-methylbenzaldehyde?
The InChIKey is LDWBSCRVPNQNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO/c1-7-4-10(8-2-3-8)9(6-13)5-11(7)12/h4-6,8H,2-3H2,1H3.
What are the key properties of 5-bromo-2-cyclopropyl-4-methylbenzaldehyde?
5-bromo-2-cyclopropyl-4-methylbenzaldehyde has a molecular weight of 239.11 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropyl-4-methylbenzaldehyde is sourced from PubChem (CID 90394913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).