7-bromo-2,2-dimethylchromene-3-carbaldehyde

C12H11BrO2 — CID 166457648

IUPAC7-bromo-2,2-dimethylchromene-3-carbaldehyde
SMILESCC1(C)Oc2cc(Br)ccc2C=C1C=O
InChIInChI=1S/C12H11BrO2/c1-12(2)9(7-14)5-8-3-4-10(13)6-11(8)15-12/h3-7H,1-2H3
InChIKeyBKYOCNDMAHJYMC-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.20
Rot. Bonds1

About 7-bromo-2,2-dimethylchromene-3-carbaldehyde

7-bromo-2,2-dimethylchromene-3-carbaldehyde (PubChem CID 166457648) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is 7-bromo-2,2-dimethylchromene-3-carbaldehyde.

Molecular Properties

Compound Name7-bromo-2,2-dimethylchromene-3-carbaldehyde
PubChem CID166457648
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Name7-bromo-2,2-dimethylchromene-3-carbaldehyde
SMILESCC1(C)Oc2cc(Br)ccc2C=C1C=O
InChIInChI=1S/C12H11BrO2/c1-12(2)9(7-14)5-8-3-4-10(13)6-11(8)15-12/h3-7H,1-2H3
InChIKeyBKYOCNDMAHJYMC-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,2-dimethylchromene-3-carbaldehyde?
The IUPAC name of 7-bromo-2,2-dimethylchromene-3-carbaldehyde (CID 166457648) is 7-bromo-2,2-dimethylchromene-3-carbaldehyde.
What is the SMILES notation for 7-bromo-2,2-dimethylchromene-3-carbaldehyde?
The canonical SMILES for 7-bromo-2,2-dimethylchromene-3-carbaldehyde is CC1(C)Oc2cc(Br)ccc2C=C1C=O.
What is the InChIKey of 7-bromo-2,2-dimethylchromene-3-carbaldehyde?
The InChIKey is BKYOCNDMAHJYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2/c1-12(2)9(7-14)5-8-3-4-10(13)6-11(8)15-12/h3-7H,1-2H3.
What are the key properties of 7-bromo-2,2-dimethylchromene-3-carbaldehyde?
7-bromo-2,2-dimethylchromene-3-carbaldehyde has a molecular weight of 267.12 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,2-dimethylchromene-3-carbaldehyde is sourced from PubChem (CID 166457648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).