7-bromo-2-(4-tert-butylphenyl)benzo[e][1]benzofuran

C22H19BrO — CID 132507585

IUPAC7-bromo-2-(4-tert-butylphenyl)benzo[e][1]benzofuran
SMILESCC(C)(C)c1ccc(-c2cc3c(ccc4cc(Br)ccc43)o2)cc1
InChIInChI=1S/C22H19BrO/c1-22(2,3)16-7-4-14(5-8-16)21-13-19-18-10-9-17(23)12-15(18)6-11-20(19)24-21/h4-13H,1-3H3
InChIKeyWVUFJTSJDKJFBM-UHFFFAOYSA-N
MW379.30 g/mol
LogP7.31
Rot. Bonds1

About 7-bromo-2-(4-tert-butylphenyl)benzo[e][1]benzofuran

7-bromo-2-(4-tert-butylphenyl)benzo[e][1]benzofuran (PubChem CID 132507585) has the molecular formula C22H19BrO and a molecular weight of 379.30 g/mol. Its IUPAC name is 7-bromo-2-(4-tert-butylphenyl)benzo[e][1]benzofuran.

Molecular Properties

Compound Name7-bromo-2-(4-tert-butylphenyl)benzo[e][1]benzofuran
PubChem CID132507585
Molecular FormulaC22H19BrO
Molecular Weight379.30 g/mol
Exact Mass378.06
IUPAC Name7-bromo-2-(4-tert-butylphenyl)benzo[e][1]benzofuran
SMILESCC(C)(C)c1ccc(-c2cc3c(ccc4cc(Br)ccc43)o2)cc1
InChIInChI=1S/C22H19BrO/c1-22(2,3)16-7-4-14(5-8-16)21-13-19-18-10-9-17(23)12-15(18)6-11-20(19)24-21/h4-13H,1-3H3
InChIKeyWVUFJTSJDKJFBM-UHFFFAOYSA-N
XLogP7.31
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.30
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-2-phenylbenzo[e][1]benzofuran
CID 90759683
2,6-bis(4-tert-butylphenyl)furo[2,3-f][1]benzofuran
CID 102326421
7,19-bis(4-methylphenyl)-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58410888
9-bromo-2-tert-butylbenzo[c]chromen-6-one
CID 102428910
6-bromo-2-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 71741264
3-bromo-7-tert-butyldibenzofuran
CID 134401866
3,6-dibromo-9,10-bis[4-(4-tert-butylphenyl)phenyl]phenanthrene
CID 142739228
2-bromo-6-tert-butylxanthen-9-one
CID 146176297
2,8-ditert-butyldibenzofuran
CID 14914466
2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400
2-(4-tert-butylphenyl)-1-benzofuran-6-carbaldehyde
CID 129115921
7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran
CID 71108525

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-tert-butylphenyl)benzo[e][1]benzofuran?
The IUPAC name of 7-bromo-2-(4-tert-butylphenyl)benzo[e][1]benzofuran (CID 132507585) is 7-bromo-2-(4-tert-butylphenyl)benzo[e][1]benzofuran.
What is the SMILES notation for 7-bromo-2-(4-tert-butylphenyl)benzo[e][1]benzofuran?
The canonical SMILES for 7-bromo-2-(4-tert-butylphenyl)benzo[e][1]benzofuran is CC(C)(C)c1ccc(-c2cc3c(ccc4cc(Br)ccc43)o2)cc1.
What is the InChIKey of 7-bromo-2-(4-tert-butylphenyl)benzo[e][1]benzofuran?
The InChIKey is WVUFJTSJDKJFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrO/c1-22(2,3)16-7-4-14(5-8-16)21-13-19-18-10-9-17(23)12-15(18)6-11-20(19)24-21/h4-13H,1-3H3.
What are the key properties of 7-bromo-2-(4-tert-butylphenyl)benzo[e][1]benzofuran?
7-bromo-2-(4-tert-butylphenyl)benzo[e][1]benzofuran has a molecular weight of 379.30 g/mol, XLogP of 7.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-tert-butylphenyl)benzo[e][1]benzofuran is sourced from PubChem (CID 132507585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).