1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one

C15H19BrO — CID 165075816

IUPAC1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
SMILESCCCCC(=O)c1cc(Br)c2c(c1)CCCC2
InChIInChI=1S/C15H19BrO/c1-2-3-8-15(17)12-9-11-6-4-5-7-13(11)14(16)10-12/h9-10H,2-8H2,1H3
InChIKeyYLCHWOGXOCZICL-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.70
Rot. Bonds4

About 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one

1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one (PubChem CID 165075816) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one.

Molecular Properties

Compound Name1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
PubChem CID165075816
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
SMILESCCCCC(=O)c1cc(Br)c2c(c1)CCCC2
InChIInChI=1S/C15H19BrO/c1-2-3-8-15(17)12-9-11-6-4-5-7-13(11)14(16)10-12/h9-10H,2-8H2,1H3
InChIKeyYLCHWOGXOCZICL-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 117453193
1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 83988295
1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
1-(3,5-dibromo-4-hydroxyphenyl)hexan-1-one
CID 21284639
1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one
CID 165075954
1-(4-bromo-3-methylphenyl)pentan-1-one
CID 54759050
1-(3-bromo-4-fluorophenyl)pentan-1-one
CID 79736061
1-(3,4-dihydro-2H-chromen-6-yl)pentan-1-one
CID 61027347
tert-butyl 8-bromo-6-pentanoyl-3,4-dihydro-2H-quinoline-1-carboxylate;tert-butyl 8-imidazol-1-yl-6-pentanoyl-3,4-dihydro-2H-quinoline-1-carboxylate;1-(4-imidazol-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 165104381
1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one
CID 2801674
1-(4-bromo-3,5-dimethylphenyl)decan-1-one
CID 114329661
1-(3-bromo-4-methylphenyl)undecan-1-one
CID 114968881

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
The IUPAC name of 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one (CID 165075816) is 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one.
What is the SMILES notation for 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
The canonical SMILES for 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one is CCCCC(=O)c1cc(Br)c2c(c1)CCCC2.
What is the InChIKey of 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
The InChIKey is YLCHWOGXOCZICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c1-2-3-8-15(17)12-9-11-6-4-5-7-13(11)14(16)10-12/h9-10H,2-8H2,1H3.
What are the key properties of 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one has a molecular weight of 295.22 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one is sourced from PubChem (CID 165075816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).