2-bromo-4-cyclopentyloxy-5-methoxybenzaldehyde

C13H15BrO3 — CID 2168465

IUPAC2-bromo-4-cyclopentyloxy-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(Br)cc1OC1CCCC1
InChIInChI=1S/C13H15BrO3/c1-16-12-6-9(8-15)11(14)7-13(12)17-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeySMFOFYRMEYPBLY-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.59
Rot. Bonds4

About 2-bromo-4-cyclopentyloxy-5-methoxybenzaldehyde

2-bromo-4-cyclopentyloxy-5-methoxybenzaldehyde (PubChem CID 2168465) has the molecular formula C13H15BrO3 and a molecular weight of 299.16 g/mol. Its IUPAC name is 2-bromo-4-cyclopentyloxy-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-bromo-4-cyclopentyloxy-5-methoxybenzaldehyde
PubChem CID2168465
Molecular FormulaC13H15BrO3
Molecular Weight299.16 g/mol
Exact Mass298.02
IUPAC Name2-bromo-4-cyclopentyloxy-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(Br)cc1OC1CCCC1
InChIInChI=1S/C13H15BrO3/c1-16-12-6-9(8-15)11(14)7-13(12)17-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeySMFOFYRMEYPBLY-UHFFFAOYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-cyclopentyloxy-5-methoxybenzaldehyde?
The IUPAC name of 2-bromo-4-cyclopentyloxy-5-methoxybenzaldehyde (CID 2168465) is 2-bromo-4-cyclopentyloxy-5-methoxybenzaldehyde.
What is the SMILES notation for 2-bromo-4-cyclopentyloxy-5-methoxybenzaldehyde?
The canonical SMILES for 2-bromo-4-cyclopentyloxy-5-methoxybenzaldehyde is COc1cc(C=O)c(Br)cc1OC1CCCC1.
What is the InChIKey of 2-bromo-4-cyclopentyloxy-5-methoxybenzaldehyde?
The InChIKey is SMFOFYRMEYPBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO3/c1-16-12-6-9(8-15)11(14)7-13(12)17-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3.
What are the key properties of 2-bromo-4-cyclopentyloxy-5-methoxybenzaldehyde?
2-bromo-4-cyclopentyloxy-5-methoxybenzaldehyde has a molecular weight of 299.16 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-cyclopentyloxy-5-methoxybenzaldehyde is sourced from PubChem (CID 2168465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).