7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde

C12H11BrO — CID 115057503

IUPAC7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde
SMILESCC1=C(C=O)CCc2ccc(Br)cc21
InChIInChI=1S/C12H11BrO/c1-8-10(7-14)3-2-9-4-5-11(13)6-12(8)9/h4-7H,2-3H2,1H3
InChIKeyRAFJDFNDAFPTCT-UHFFFAOYSA-N
MW251.12 g/mol
LogP3.37
Rot. Bonds1

About 7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde

7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde (PubChem CID 115057503) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde
PubChem CID115057503
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde
SMILESCC1=C(C=O)CCc2ccc(Br)cc21
InChIInChI=1S/C12H11BrO/c1-8-10(7-14)3-2-9-4-5-11(13)6-12(8)9/h4-7H,2-3H2,1H3
InChIKeyRAFJDFNDAFPTCT-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 53.37
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

3-bromo-5-methyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylic acid
CID 71060936
acetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene
CID 67781269
(7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium
CID 166448024
3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde
CID 102097914
5-bromo-13-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 59272320
(2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde
CID 121003853
(2E)-2-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide
CID 10956023
6-bromo-2,3-dihydroinden-1-imine
CID 89235880
3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980
3-bromo-6-methylidene-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 89239604
7-bromo-3,4-dihydro-2H-isoquinolin-1-one
CID 25067330
(R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide
CID 71078736

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde (CID 115057503) is 7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde is CC1=C(C=O)CCc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde?
The InChIKey is RAFJDFNDAFPTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c1-8-10(7-14)3-2-9-4-5-11(13)6-12(8)9/h4-7H,2-3H2,1H3.
What are the key properties of 7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde?
7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde has a molecular weight of 251.12 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 115057503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).