1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one

C15H19BrO — CID 83988295

IUPAC1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
SMILESCCCCC(=O)c1cc2c(cc1Br)CCCC2
InChIInChI=1S/C15H19BrO/c1-2-3-8-15(17)13-9-11-6-4-5-7-12(11)10-14(13)16/h9-10H,2-8H2,1H3
InChIKeyKHGDIVYWZKKNKV-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.70
Rot. Bonds4

About 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one

1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one (PubChem CID 83988295) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one.

Molecular Properties

Compound Name1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
PubChem CID83988295
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
SMILESCCCCC(=O)c1cc2c(cc1Br)CCCC2
InChIInChI=1S/C15H19BrO/c1-2-3-8-15(17)13-9-11-6-4-5-7-12(11)10-14(13)16/h9-10H,2-8H2,1H3
InChIKeyKHGDIVYWZKKNKV-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

1-(2-bromo-4,5-dimethylphenyl)pentan-1-one
CID 83949845
1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 165075816
1-(2-bromo-4,5-dimethoxyphenyl)pentan-1-one
CID 43161105
1-(2,5-dibromo-4-butanoylphenyl)butan-1-one
CID 126580916
1-(2-bromo-5-chlorophenyl)pentan-1-one
CID 83988325
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)octan-1-one
CID 43340531
1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate
CID 125427256
methyl 5-(3-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopentanoate
CID 82550425
1-(2-bromo-4-methylphenyl)heptan-1-one
CID 114966698
1-(5-amino-2-bromophenyl)undecan-1-one
CID 116602809
1-(3,4-dihydro-2H-chromen-6-yl)pentan-1-one
CID 61027347

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
The IUPAC name of 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one (CID 83988295) is 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one.
What is the SMILES notation for 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
The canonical SMILES for 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one is CCCCC(=O)c1cc2c(cc1Br)CCCC2.
What is the InChIKey of 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
The InChIKey is KHGDIVYWZKKNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c1-2-3-8-15(17)13-9-11-6-4-5-7-12(11)10-14(13)16/h9-10H,2-8H2,1H3.
What are the key properties of 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
1-(3-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-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one is sourced from PubChem (CID 83988295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).