3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran

C25H17BrO2 — CID 71813906

IUPAC3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran
SMILESCOc1ccc(-c2oc3c(ccc4ccccc43)c2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C25H17BrO2/c1-27-20-13-8-18(9-14-20)24-23(17-6-11-19(26)12-7-17)22-15-10-16-4-2-3-5-21(16)25(22)28-24/h2-15H,1H3
InChIKeySXPCPGBFKOWDPT-UHFFFAOYSA-N
MW429.31 g/mol
LogP7.69
Rot. Bonds3

About 3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran

3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran (PubChem CID 71813906) has the molecular formula C25H17BrO2 and a molecular weight of 429.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran
PubChem CID71813906
Molecular FormulaC25H17BrO2
Molecular Weight429.31 g/mol
Exact Mass428.04
IUPAC Name3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran
SMILESCOc1ccc(-c2oc3c(ccc4ccccc43)c2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C25H17BrO2/c1-27-20-13-8-18(9-14-20)24-23(17-6-11-19(26)12-7-17)22-15-10-16-4-2-3-5-21(16)25(22)28-24/h2-15H,1H3
InChIKeySXPCPGBFKOWDPT-UHFFFAOYSA-N
XLogP7.69
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.31
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one
CID 122367134
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran
CID 71608239
anisole;1-bromo-4-(4-bromophenyl)benzene
CID 159969810
9-(4-bromophenyl)-10-methoxyanthracene
CID 178067918
2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran
CID 11565470
2-(4-methoxyphenyl)-1-benzofuran-3-amine
CID 102535586
2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 156612748
8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174264411
4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile
CID 10391863
3-hydroxy-2-(4-methoxyphenyl)cyclohepta[b]pyran-4,9-dione
CID 850149
9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene
CID 59002245
9,10-dibromo-2-(4-methoxyphenyl)anthracene
CID 59002235

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran?
The IUPAC name of 3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran (CID 71813906) is 3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran.
What is the SMILES notation for 3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran?
The canonical SMILES for 3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran is COc1ccc(-c2oc3c(ccc4ccccc43)c2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran?
The InChIKey is SXPCPGBFKOWDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrO2/c1-27-20-13-8-18(9-14-20)24-23(17-6-11-19(26)12-7-17)22-15-10-16-4-2-3-5-21(16)25(22)28-24/h2-15H,1H3.
What are the key properties of 3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran?
3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran has a molecular weight of 429.31 g/mol, XLogP of 7.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(4-methoxyphenyl)benzo[g][1]benzofuran is sourced from PubChem (CID 71813906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).