9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol

C27H17BrO2 — CID 134529564

IUPAC9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol
SMILESOC1(c2ccccc2-c2cc3ccccc3o2)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C27H17BrO2/c28-18-13-14-20-19-8-2-4-10-22(19)27(29,24(20)16-18)23-11-5-3-9-21(23)26-15-17-7-1-6-12-25(17)30-26/h1-16,29H
InChIKeyOSUWWSGTDUSRDH-UHFFFAOYSA-N
MW453.34 g/mol
LogP7.13
Rot. Bonds2

About 9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol

9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol (PubChem CID 134529564) has the molecular formula C27H17BrO2 and a molecular weight of 453.34 g/mol. Its IUPAC name is 9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol.

Molecular Properties

Compound Name9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol
PubChem CID134529564
Molecular FormulaC27H17BrO2
Molecular Weight453.34 g/mol
Exact Mass452.04
IUPAC Name9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol
SMILESOC1(c2ccccc2-c2cc3ccccc3o2)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C27H17BrO2/c28-18-13-14-20-19-8-2-4-10-22(19)27(29,24(20)16-18)23-11-5-3-9-21(23)26-15-17-7-1-6-12-25(17)30-26/h1-16,29H
InChIKeyOSUWWSGTDUSRDH-UHFFFAOYSA-N
XLogP7.13
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463559
11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463599
11-bromo-14-(2-dibenzofuran-3-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463554
2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol
CID 164732104
2-(2-bromophenyl)-1-benzofuran
CID 14669096
10-bromo-14-(2-naphthalen-1-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463591
9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol
CID 176723096
2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol
CID 172515748
9-bromo-7-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[a]phenalen-7-ol
CID 164970165
4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol
CID 118731476
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045

Frequently Asked Questions

What is the IUPAC name of 9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol?
The IUPAC name of 9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol (CID 134529564) is 9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol.
What is the SMILES notation for 9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol?
The canonical SMILES for 9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol is OC1(c2ccccc2-c2cc3ccccc3o2)c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol?
The InChIKey is OSUWWSGTDUSRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17BrO2/c28-18-13-14-20-19-8-2-4-10-22(19)27(29,24(20)16-18)23-11-5-3-9-21(23)26-15-17-7-1-6-12-25(17)30-26/h1-16,29H.
What are the key properties of 9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol?
9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol has a molecular weight of 453.34 g/mol, XLogP of 7.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol is sourced from PubChem (CID 134529564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).