2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde

C10H7BrO3 — CID 83919931

IUPAC2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde
SMILESCOc1cc2oc(Br)cc2cc1C=O
InChIInChI=1S/C10H7BrO3/c1-13-8-4-9-6(2-7(8)5-12)3-10(11)14-9/h2-5H,1H3
InChIKeyHQFCBECITZRURH-UHFFFAOYSA-N
MW255.07 g/mol
LogP3.02
Rot. Bonds2

About 2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde

2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde (PubChem CID 83919931) has the molecular formula C10H7BrO3 and a molecular weight of 255.07 g/mol. Its IUPAC name is 2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde
PubChem CID83919931
Molecular FormulaC10H7BrO3
Molecular Weight255.07 g/mol
Exact Mass253.96
IUPAC Name2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde
SMILESCOc1cc2oc(Br)cc2cc1C=O
InChIInChI=1S/C10H7BrO3/c1-13-8-4-9-6(2-7(8)5-12)3-10(11)14-9/h2-5H,1H3
InChIKeyHQFCBECITZRURH-UHFFFAOYSA-N
XLogP3.02
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 53.02
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

2-bromo-5,6-dimethoxy-1-benzofuran
CID 142737162
2-bromo-5-hydroxy-1-benzofuran-6-carbaldehyde
CID 83899043
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
5-methoxy-2,1,3-benzoxadiazole-6-carbaldehyde
CID 82410218
6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde
CID 134990010
6,13,19,20,26,27-hexamethoxypentacyclo[22.4.0.03,8.010,15.017,22]octacosa-1(28),3,5,7,10,12,14,17,19,21,24,26-dodecaene-5,12-dicarbaldehyde
CID 164843046
2,4-dimethoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde
CID 22915000
7-methoxy-2-oxochromene-3-carbaldehyde
CID 10420437
methyl 5-bromo-3-formylfuran-2-carboxylate
CID 84696274
2,5-dimethoxy-4-propoxybenzaldehyde
CID 614240
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde?
The IUPAC name of 2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde (CID 83919931) is 2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde.
What is the SMILES notation for 2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde?
The canonical SMILES for 2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde is COc1cc2oc(Br)cc2cc1C=O.
What is the InChIKey of 2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde?
The InChIKey is HQFCBECITZRURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO3/c1-13-8-4-9-6(2-7(8)5-12)3-10(11)14-9/h2-5H,1H3.
What are the key properties of 2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde?
2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde has a molecular weight of 255.07 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 83919931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).