2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone

C18H17BrO — CID 65408782

IUPAC2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(Cc1cccc(Br)c1)C1CCc2ccccc2C1
InChIInChI=1S/C18H17BrO/c19-17-7-3-4-13(10-17)11-18(20)16-9-8-14-5-1-2-6-15(14)12-16/h1-7,10,16H,8-9,11-12H2
InChIKeyPKYVXEAPRHDLFQ-UHFFFAOYSA-N
MW329.24 g/mol
LogP4.37
Rot. Bonds3

About 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone

2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 65408782) has the molecular formula C18H17BrO and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
PubChem CID65408782
Molecular FormulaC18H17BrO
Molecular Weight329.24 g/mol
Exact Mass328.05
IUPAC Name2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(Cc1cccc(Br)c1)C1CCc2ccccc2C1
InChIInChI=1S/C18H17BrO/c19-17-7-3-4-13(10-17)11-18(20)16-9-8-14-5-1-2-6-15(14)12-16/h1-7,10,16H,8-9,11-12H2
InChIKeyPKYVXEAPRHDLFQ-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-1-piperidin-2-ylethanone
CID 116547857
1-[4-[2-(3-bromophenyl)acetyl]piperidin-1-yl]prop-2-en-1-one
CID 171509384
1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63770747
tert-butyl 3-[2-(3-bromophenyl)acetyl]pyrrolidine-1-carboxylate
CID 107091887
2-(3-bromophenyl)acetate
CID 3608673
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
2-(1-methyltriazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
CID 107047174
2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 113098893
2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 65408731
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126797
2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 159629366
2-(3-bromophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79913015

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone (CID 65408782) is 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone is O=C(Cc1cccc(Br)c1)C1CCc2ccccc2C1.
What is the InChIKey of 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is PKYVXEAPRHDLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO/c19-17-7-3-4-13(10-17)11-18(20)16-9-8-14-5-1-2-6-15(14)12-16/h1-7,10,16H,8-9,11-12H2.
What are the key properties of 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 329.24 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 65408782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).