6-(3-bromophenyl)-1,2-dihydronaphthalene

C16H13Br — CID 143742430

IUPAC6-(3-bromophenyl)-1,2-dihydronaphthalene
SMILESBrc1cccc(-c2ccc3c(c2)C=CCC3)c1
InChIInChI=1S/C16H13Br/c17-16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h2-3,5-11H,1,4H2
InChIKeyBQCQCZVVBMDPHS-UHFFFAOYSA-N
MW285.18 g/mol
LogP5.08
Rot. Bonds1

About 6-(3-bromophenyl)-1,2-dihydronaphthalene

6-(3-bromophenyl)-1,2-dihydronaphthalene (PubChem CID 143742430) has the molecular formula C16H13Br and a molecular weight of 285.18 g/mol. Its IUPAC name is 6-(3-bromophenyl)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name6-(3-bromophenyl)-1,2-dihydronaphthalene
PubChem CID143742430
Molecular FormulaC16H13Br
Molecular Weight285.18 g/mol
Exact Mass284.02
IUPAC Name6-(3-bromophenyl)-1,2-dihydronaphthalene
SMILESBrc1cccc(-c2ccc3c(c2)C=CCC3)c1
InChIInChI=1S/C16H13Br/c17-16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h2-3,5-11H,1,4H2
InChIKeyBQCQCZVVBMDPHS-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.18
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-1,2-dihydronaphthalene?
The IUPAC name of 6-(3-bromophenyl)-1,2-dihydronaphthalene (CID 143742430) is 6-(3-bromophenyl)-1,2-dihydronaphthalene.
What is the SMILES notation for 6-(3-bromophenyl)-1,2-dihydronaphthalene?
The canonical SMILES for 6-(3-bromophenyl)-1,2-dihydronaphthalene is Brc1cccc(-c2ccc3c(c2)C=CCC3)c1.
What is the InChIKey of 6-(3-bromophenyl)-1,2-dihydronaphthalene?
The InChIKey is BQCQCZVVBMDPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br/c17-16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h2-3,5-11H,1,4H2.
What are the key properties of 6-(3-bromophenyl)-1,2-dihydronaphthalene?
6-(3-bromophenyl)-1,2-dihydronaphthalene has a molecular weight of 285.18 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-1,2-dihydronaphthalene is sourced from PubChem (CID 143742430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).