6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene

C22H19Br — CID 166448296

IUPAC6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESBrc1cccc(-c2cccc(-c3ccc4c(c3)CCCC4)c2)c1
InChIInChI=1S/C22H19Br/c23-22-10-4-9-20(15-22)18-7-3-8-19(14-18)21-12-11-16-5-1-2-6-17(16)13-21/h3-4,7-15H,1-2,5-6H2
InChIKeyVNDAZPFHHIRJHB-UHFFFAOYSA-N
MW363.30 g/mol
LogP6.66
Rot. Bonds2

About 6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene

6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 166448296) has the molecular formula C22H19Br and a molecular weight of 363.30 g/mol. Its IUPAC name is 6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID166448296
Molecular FormulaC22H19Br
Molecular Weight363.30 g/mol
Exact Mass362.07
IUPAC Name6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESBrc1cccc(-c2cccc(-c3ccc4c(c3)CCCC4)c2)c1
InChIInChI=1S/C22H19Br/c23-22-10-4-9-20(15-22)18-7-3-8-19(14-18)21-12-11-16-5-1-2-6-17(16)13-21/h3-4,7-15H,1-2,5-6H2
InChIKeyVNDAZPFHHIRJHB-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.30
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(3-fluorophenyl)-2,3-dihydro-1H-indene
CID 54342765
6-(3-bromophenyl)-2-methoxy-1,2,3,4-tetrahydronaphthalene
CID 70312033
[3-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine
CID 61032630
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
6-(3-bromophenyl)-1,2-dihydronaphthalene
CID 143742430
6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene
CID 63457392
1-bromo-3-phenylbenzene
CID 16449
1-bromo-3-(3-bromophenyl)-5-phenylbenzene
CID 90126090
N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]ethanamine
CID 63428245
1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480640
3-[3-(3-bromophenyl)phenyl]phenol
CID 139685507
1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene
CID 71132921

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene (CID 166448296) is 6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene is Brc1cccc(-c2cccc(-c3ccc4c(c3)CCCC4)c2)c1.
What is the InChIKey of 6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is VNDAZPFHHIRJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Br/c23-22-10-4-9-20(15-22)18-7-3-8-19(14-18)21-12-11-16-5-1-2-6-17(16)13-21/h3-4,7-15H,1-2,5-6H2.
What are the key properties of 6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 363.30 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 166448296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).