4-[4-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]-1,8a-dihydronaphthalene

C22H19Br — CID 89334189

IUPAC4-[4-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]-1,8a-dihydronaphthalene
SMILESBrc1ccc(C2=CCC(C3=C4C=CC=CC4CC=C3)C=C2)cc1
InChIInChI=1S/C22H19Br/c23-20-14-12-17(13-15-20)16-8-10-19(11-9-16)22-7-3-5-18-4-1-2-6-21(18)22/h1-4,6-10,12-15,18-19H,5,11H2
InChIKeyFLTZPSFXTARCPH-UHFFFAOYSA-N
MW363.30 g/mol
LogP6.41
Rot. Bonds2

About 4-[4-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]-1,8a-dihydronaphthalene

4-[4-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]-1,8a-dihydronaphthalene (PubChem CID 89334189) has the molecular formula C22H19Br and a molecular weight of 363.30 g/mol. Its IUPAC name is 4-[4-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]-1,8a-dihydronaphthalene.

Molecular Properties

Compound Name4-[4-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]-1,8a-dihydronaphthalene
PubChem CID89334189
Molecular FormulaC22H19Br
Molecular Weight363.30 g/mol
Exact Mass362.07
IUPAC Name4-[4-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]-1,8a-dihydronaphthalene
SMILESBrc1ccc(C2=CCC(C3=C4C=CC=CC4CC=C3)C=C2)cc1
InChIInChI=1S/C22H19Br/c23-20-14-12-17(13-15-20)16-8-10-19(11-9-16)22-7-3-5-18-4-1-2-6-21(18)22/h1-4,6-10,12-15,18-19H,5,11H2
InChIKeyFLTZPSFXTARCPH-UHFFFAOYSA-N
XLogP6.41
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 ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-[4-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]-1,8a-dihydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]-1,8a-dihydronaphthalene?
The IUPAC name of 4-[4-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]-1,8a-dihydronaphthalene (CID 89334189) is 4-[4-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]-1,8a-dihydronaphthalene.
What is the SMILES notation for 4-[4-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]-1,8a-dihydronaphthalene?
The canonical SMILES for 4-[4-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]-1,8a-dihydronaphthalene is Brc1ccc(C2=CCC(C3=C4C=CC=CC4CC=C3)C=C2)cc1.
What is the InChIKey of 4-[4-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]-1,8a-dihydronaphthalene?
The InChIKey is FLTZPSFXTARCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Br/c23-20-14-12-17(13-15-20)16-8-10-19(11-9-16)22-7-3-5-18-4-1-2-6-21(18)22/h1-4,6-10,12-15,18-19H,5,11H2.
What are the key properties of 4-[4-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]-1,8a-dihydronaphthalene?
4-[4-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]-1,8a-dihydronaphthalene has a molecular weight of 363.30 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]-1,8a-dihydronaphthalene is sourced from PubChem (CID 89334189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).