1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one

C13H11BrO — CID 25234548

IUPAC1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one
SMILESC=CC(=O)C1=CCCc2ccc(Br)cc21
InChIInChI=1S/C13H11BrO/c1-2-13(15)11-5-3-4-9-6-7-10(14)8-12(9)11/h2,5-8H,1,3-4H2
InChIKeyWPGWCIJTACIVOW-UHFFFAOYSA-N
MW263.13 g/mol
LogP3.53
Rot. Bonds2

About 1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one

1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one (PubChem CID 25234548) has the molecular formula C13H11BrO and a molecular weight of 263.13 g/mol. Its IUPAC name is 1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one
PubChem CID25234548
Molecular FormulaC13H11BrO
Molecular Weight263.13 g/mol
Exact Mass262.00
IUPAC Name1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one
SMILESC=CC(=O)C1=CCCc2ccc(Br)cc21
InChIInChI=1S/C13H11BrO/c1-2-13(15)11-5-3-4-9-6-7-10(14)8-12(9)11/h2,5-8H,1,3-4H2
InChIKeyWPGWCIJTACIVOW-UHFFFAOYSA-N
XLogP3.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Bromophenacyl bromide
CID 7454
4,4'-Dibromobenzil
CID 96430
p-Bromoacetophenone
CID 7466
3'-Bromoacetophenone
CID 16502
6-Bromo-1,2-naphthoquinone
CID 23384
2,2,4'-Tribromoacetophenone
CID 25776
1-Indanone, 4-bromo-
CID 98713
4-Bromobenzophenone
CID 7030
4,4'-Dibromobenzophenone
CID 72868
1,4-Naphthalenedione, 2-bromo-
CID 74944
2-Bromo-9-fluorenone
CID 725831
4'-Bromochalcone
CID 5355204

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one?
The IUPAC name of 1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one (CID 25234548) is 1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one?
The canonical SMILES for 1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one is C=CC(=O)C1=CCCc2ccc(Br)cc21.
What is the InChIKey of 1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one?
The InChIKey is WPGWCIJTACIVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO/c1-2-13(15)11-5-3-4-9-6-7-10(14)8-12(9)11/h2,5-8H,1,3-4H2.
What are the key properties of 1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one?
1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one has a molecular weight of 263.13 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one is sourced from PubChem (CID 25234548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).