2-[3-(4-bromophenyl)-2-hydroxyphenyl]dibenzofuran-3-ol

C24H15BrO3 — CID 146487849

IUPAC2-[3-(4-bromophenyl)-2-hydroxyphenyl]dibenzofuran-3-ol
SMILESOc1cc2oc3ccccc3c2cc1-c1cccc(-c2ccc(Br)cc2)c1O
InChIInChI=1S/C24H15BrO3/c25-15-10-8-14(9-11-15)16-5-3-6-18(24(16)27)19-12-20-17-4-1-2-7-22(17)28-23(20)13-21(19)26/h1-13,26-27H
InChIKeyBSFORSPTYMNXSF-UHFFFAOYSA-N
MW431.29 g/mol
LogP7.09
Rot. Bonds2

About 2-[3-(4-bromophenyl)-2-hydroxyphenyl]dibenzofuran-3-ol

2-[3-(4-bromophenyl)-2-hydroxyphenyl]dibenzofuran-3-ol (PubChem CID 146487849) has the molecular formula C24H15BrO3 and a molecular weight of 431.29 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-2-hydroxyphenyl]dibenzofuran-3-ol.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-2-hydroxyphenyl]dibenzofuran-3-ol
PubChem CID146487849
Molecular FormulaC24H15BrO3
Molecular Weight431.29 g/mol
Exact Mass430.02
IUPAC Name2-[3-(4-bromophenyl)-2-hydroxyphenyl]dibenzofuran-3-ol
SMILESOc1cc2oc3ccccc3c2cc1-c1cccc(-c2ccc(Br)cc2)c1O
InChIInChI=1S/C24H15BrO3/c25-15-10-8-14(9-11-15)16-5-3-6-18(24(16)27)19-12-20-17-4-1-2-7-22(17)28-23(20)13-21(19)26/h1-13,26-27H
InChIKeyBSFORSPTYMNXSF-UHFFFAOYSA-N
XLogP7.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.29
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)dibenzofuran
CID 59022098
7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran
CID 167303576
2,3-diphenyldibenzofuran
CID 12699263
5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran
CID 118616071
9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol
CID 163557870
3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155334783
7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 149458315
1-(4-bromophenyl)-3-phenyldibenzofuran
CID 135295838
1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran
CID 147609065
2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
CID 170926983
2,3-bis(4-hydroxyphenyl)xanthen-9-one
CID 52942637
2-aminodibenzofuran-3-ol
CID 20610456

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-2-hydroxyphenyl]dibenzofuran-3-ol?
The IUPAC name of 2-[3-(4-bromophenyl)-2-hydroxyphenyl]dibenzofuran-3-ol (CID 146487849) is 2-[3-(4-bromophenyl)-2-hydroxyphenyl]dibenzofuran-3-ol.
What is the SMILES notation for 2-[3-(4-bromophenyl)-2-hydroxyphenyl]dibenzofuran-3-ol?
The canonical SMILES for 2-[3-(4-bromophenyl)-2-hydroxyphenyl]dibenzofuran-3-ol is Oc1cc2oc3ccccc3c2cc1-c1cccc(-c2ccc(Br)cc2)c1O.
What is the InChIKey of 2-[3-(4-bromophenyl)-2-hydroxyphenyl]dibenzofuran-3-ol?
The InChIKey is BSFORSPTYMNXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrO3/c25-15-10-8-14(9-11-15)16-5-3-6-18(24(16)27)19-12-20-17-4-1-2-7-22(17)28-23(20)13-21(19)26/h1-13,26-27H.
What are the key properties of 2-[3-(4-bromophenyl)-2-hydroxyphenyl]dibenzofuran-3-ol?
2-[3-(4-bromophenyl)-2-hydroxyphenyl]dibenzofuran-3-ol has a molecular weight of 431.29 g/mol, XLogP of 7.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-2-hydroxyphenyl]dibenzofuran-3-ol is sourced from PubChem (CID 146487849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).