6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one

C14H15BrO — CID 170498148

IUPAC6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cc(C=CCCBr)ccc2C1
InChIInChI=1S/C14H15BrO/c15-8-2-1-3-11-4-5-13-10-14(16)7-6-12(13)9-11/h1,3-5,9H,2,6-8,10H2
InChIKeyWQENNLDTDFKHGP-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.54
Rot. Bonds3

About 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one

6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 170498148) has the molecular formula C14H15BrO and a molecular weight of 279.18 g/mol. Its IUPAC name is 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one
PubChem CID170498148
Molecular FormulaC14H15BrO
Molecular Weight279.18 g/mol
Exact Mass278.03
IUPAC Name6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cc(C=CCCBr)ccc2C1
InChIInChI=1S/C14H15BrO/c15-8-2-1-3-11-4-5-13-10-14(16)7-6-12(13)9-11/h1,3-5,9H,2,6-8,10H2
InChIKeyWQENNLDTDFKHGP-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one
CID 170487625
N-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide
CID 170489393
S-[3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)prop-2-enyl] ethanethioate
CID 169457926
6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one
CID 170498191
3-(3-bromoprop-1-enyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 169475031
3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 71332157
6-(4-bromobut-1-enyl)-1H-indole-2,3-dione
CID 170498185
5-(4-bromobut-1-enyl)-2-methylaniline
CID 170497179
3-[(1Z,3Z)-4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)buta-1,3-dienyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 58696689
1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene
CID 170498464
6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one
CID 170476722
1-[4-(4-bromobut-1-enyl)-2-methylphenyl]ethanone
CID 170497744

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one (CID 170498148) is 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2cc(C=CCCBr)ccc2C1.
What is the InChIKey of 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is WQENNLDTDFKHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO/c15-8-2-1-3-11-4-5-13-10-14(16)7-6-12(13)9-11/h1,3-5,9H,2,6-8,10H2.
What are the key properties of 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one?
6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 279.18 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 170498148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).