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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Related Compounds

6-bromo-2-methyl-3H-1-benzofuran-2-carbaldehyde
CID 117045839
6'-bromo-5,5-dimethylspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one
CID 165396975
3-bromo-9H-xanthene-9-carbaldehyde
CID 174494099
(4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 97050676
(4S)-7-bromo-2-ethyl-2-methyl-3,4-dihydrochromen-4-ol
CID 104949705
(4E)-4-[(4-bromo-2-ethylphenyl)methylidene]-2-ethyl-2,5,5-trimethyloxolan-3-one
CID 59562673
(2Z,4E)-5-(2,2-dimethylchromen-3-yl)-3-methylpenta-2,4-dienoic acid
CID 11448602
7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane]
CID 164899375
2-butyl-6-chloro-2-(trifluoromethyl)chromene-3-carbaldehyde
CID 174677249
7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 79982958
N-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide
CID 178039158
8-bromo-5-prop-2-enyl-3,4-dihydro-2H-1-benzoxepine-5-carbaldehyde
CID 18406101

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).