1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene

C16H15Br — CID 22613084

IUPAC1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene
SMILESBrc1cccc(C2CCCc3ccccc32)c1
InChIInChI=1S/C16H15Br/c17-14-8-3-7-13(11-14)16-10-4-6-12-5-1-2-9-15(12)16/h1-3,5,7-9,11,16H,4,6,10H2
InChIKeySKKBSVAKQRPNOL-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.92
Rot. Bonds1

About 1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene

1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 22613084) has the molecular formula C16H15Br and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID22613084
Molecular FormulaC16H15Br
Molecular Weight287.20 g/mol
Exact Mass286.04
IUPAC Name1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene
SMILESBrc1cccc(C2CCCc3ccccc32)c1
InChIInChI=1S/C16H15Br/c17-14-8-3-7-13(11-14)16-10-4-6-12-5-1-2-9-15(12)16/h1-3,5,7-9,11,16H,4,6,10H2
InChIKeySKKBSVAKQRPNOL-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene (CID 22613084) is 1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene is Brc1cccc(C2CCCc3ccccc32)c1.
What is the InChIKey of 1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is SKKBSVAKQRPNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br/c17-14-8-3-7-13(11-14)16-10-4-6-12-5-1-2-9-15(12)16/h1-3,5,7-9,11,16H,4,6,10H2.
What are the key properties of 1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene?
1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 287.20 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 22613084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).