6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran

C20H15BrO — CID 70904894

IUPAC6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran
SMILESBrc1ccc2c(C3C=CC=CC3)c(-c3ccccc3)oc2c1
InChIInChI=1S/C20H15BrO/c21-16-11-12-17-18(13-16)22-20(15-9-5-2-6-10-15)19(17)14-7-3-1-4-8-14/h1-7,9-14H,8H2
InChIKeyQHYJSHMYXBGTOH-UHFFFAOYSA-N
MW351.24 g/mol
LogP6.46
Rot. Bonds2

About 6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran

6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran (PubChem CID 70904894) has the molecular formula C20H15BrO and a molecular weight of 351.24 g/mol. Its IUPAC name is 6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran.

Molecular Properties

Compound Name6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran
PubChem CID70904894
Molecular FormulaC20H15BrO
Molecular Weight351.24 g/mol
Exact Mass350.03
IUPAC Name6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran
SMILESBrc1ccc2c(C3C=CC=CC3)c(-c3ccccc3)oc2c1
InChIInChI=1S/C20H15BrO/c21-16-11-12-17-18(13-16)22-20(15-9-5-2-6-10-15)19(17)14-7-3-1-4-8-14/h1-7,9-14H,8H2
InChIKeyQHYJSHMYXBGTOH-UHFFFAOYSA-N
XLogP6.46
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.24
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran with MolForge

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

Launch Full Analysis

Related Compounds

6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran
CID 175970496
6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 71059027
5-bromo-1,3-diphenyl-2-benzofuran
CID 71084545
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514
N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline
CID 170214346
4-(4-bromonaphthalen-1-yl)-2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)pyrimidine
CID 167257422
4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran
CID 155028273
6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-9-yl]-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 163568883
2-[9-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 163580766
(6-bromo-4-oxo-2-phenylchromen-3-yl) trifluoromethanesulfonate
CID 71665011
5,9-dibromonaphtho[2,1-b][1]benzofuran
CID 90263899
9-[2-cyclohexa-2,4-dien-1-yl-4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]-1,3,6,8-tetraphenylcarbazole
CID 165020345

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran?
The IUPAC name of 6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran (CID 70904894) is 6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran.
What is the SMILES notation for 6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran?
The canonical SMILES for 6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran is Brc1ccc2c(C3C=CC=CC3)c(-c3ccccc3)oc2c1.
What is the InChIKey of 6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran?
The InChIKey is QHYJSHMYXBGTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrO/c21-16-11-12-17-18(13-16)22-20(15-9-5-2-6-10-15)19(17)14-7-3-1-4-8-14/h1-7,9-14H,8H2.
What are the key properties of 6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran?
6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran has a molecular weight of 351.24 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran is sourced from PubChem (CID 70904894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).