3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one

C24H14Br2O4 — CID 24788889

IUPAC3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one
SMILESO=C1OC(c2ccc(O)c(Br)c2)(c2ccc(O)c(Br)c2)c2ccc3ccccc3c21
InChIInChI=1S/C24H14Br2O4/c25-18-11-14(6-9-20(18)27)24(15-7-10-21(28)19(26)12-15)17-8-5-13-3-1-2-4-16(13)22(17)23(29)30-24/h1-12,27-28H
InChIKeyXDRGUQQUABBMCG-UHFFFAOYSA-N
MW526.18 g/mol
LogP6.24
Rot. Bonds2

About 3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one

3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one (PubChem CID 24788889) has the molecular formula C24H14Br2O4 and a molecular weight of 526.18 g/mol. Its IUPAC name is 3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one.

Molecular Properties

Compound Name3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one
PubChem CID24788889
Molecular FormulaC24H14Br2O4
Molecular Weight526.18 g/mol
Exact Mass523.93
IUPAC Name3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one
SMILESO=C1OC(c2ccc(O)c(Br)c2)(c2ccc(O)c(Br)c2)c2ccc3ccccc3c21
InChIInChI=1S/C24H14Br2O4/c25-18-11-14(6-9-20(18)27)24(15-7-10-21(28)19(26)12-15)17-8-5-13-3-1-2-4-16(13)22(17)23(29)30-24/h1-12,27-28H
InChIKeyXDRGUQQUABBMCG-UHFFFAOYSA-N
XLogP6.24
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.18
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one 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

Tetrabromophenolphthalein
CID 65569
D & C Orange No. 5
CID 11689
1,1-Bis(3-bromo-4-hydroxy-phenyl)benzo[e]isobenzofuran-3-one
CID 16086913
3,3-Bis(4-hydroxyphenyl)benzo[g]isobenzofuran-1-one
CID 16086911
1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-
CID 83058
1,1-Bis(3,5-dibromo-4-hydroxy-phenyl)benzo[e]isobenzofuran-3-one
CID 16086914
1,8-Naphthalein derivative, 13
CID 10478775
1,1-Bis(4-hydroxyphenyl)benzo[e]isobenzofuran-3-one
CID 16086910
1,8-Naphthalein derivative, 14
CID 23648075
1,8-Naphthalein derivative, 15
CID 23648076
4',5'-Dibromo-3',6'-dihydroxy-2',7'-dimethylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
CID 73520
3-(4-Hydroxy-naphthalen-1-yl)-3-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one
CID 484969

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one?
The IUPAC name of 3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one (CID 24788889) is 3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one.
What is the SMILES notation for 3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one?
The canonical SMILES for 3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one is O=C1OC(c2ccc(O)c(Br)c2)(c2ccc(O)c(Br)c2)c2ccc3ccccc3c21.
What is the InChIKey of 3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one?
The InChIKey is XDRGUQQUABBMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Br2O4/c25-18-11-14(6-9-20(18)27)24(15-7-10-21(28)19(26)12-15)17-8-5-13-3-1-2-4-16(13)22(17)23(29)30-24/h1-12,27-28H.
What are the key properties of 3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one?
3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one has a molecular weight of 526.18 g/mol, XLogP of 6.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one is sourced from PubChem (CID 24788889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).