bis(4-bromo-3-(1,3-dioxolan-2-yl)phenol);1-[4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-methoxyphenyl]ethanone;2-bromo-5-hydroxybenzaldehyde;4-fluoro-2-hydroxybenzoic acid;1-(4-fluoro-2-hydroxyphenyl)ethanone;bis(1-(4-fluoro-2-methoxyphenyl)ethanone)

C76H70Br4F4O22 — CID 159076715

IUPACbis(4-bromo-3-(1,3-dioxolan-2-yl)phenol);1-[4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-methoxyphenyl]ethanone;2-bromo-5-hydroxybenzaldehyde;4-fluoro-2-hydroxybenzoic acid;1-(4-fluoro-2-hydroxyphenyl)ethanone;bis(1-(4-fluoro-2-methoxyphenyl)ethanone)
SMILESCC(=O)c1ccc(F)cc1O.COc1cc(F)ccc1C(C)=O.COc1cc(F)ccc1C(C)=O.COc1cc(Oc2ccc(Br)c(C3OCCO3)c2)ccc1C(C)=O.O=C(O)c1ccc(F)cc1O.O=Cc1cc(O)ccc1Br.Oc1ccc(Br)c(C2OCCO2)c1.Oc1ccc(Br)c(C2OCCO2)c1
InChIInChI=1S/C18H17BrO5.2C9H9BrO3.2C9H9FO2.C8H7FO2.C7H5BrO2.C7H5FO3/c1-11(20)14-5-3-13(10-17(14)21-2)24-12-4-6-16(19)15(9-12)18-22-7-8-23-18;2*10-8-2-1-6(11)5-7(8)9-12-3-4-13-9;2*1-6(11)8-4-3-7(10)5-9(8)12-2;1-5(10)7-3-2-6(9)4-8(7)11;8-7-2-1-6(10)3-5(7)4-9;8-4-1-2-5(7(10)11)6(9)3-4/h3-6,9-10,18H,7-8H2,1-2H3;2*1-2,5,9,11H,3-4H2;2*3-5H,1-2H3;2-4,11H,1H3;1-4,10H;1-3,9H,(H,10,11)
InChIKeyKAIMYGYJVOBBGE-UHFFFAOYSA-N
MW1730.98 g/mol
LogP17.90
Rot. Bonds14

About bis(4-bromo-3-(1,3-dioxolan-2-yl)phenol);1-[4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-methoxyphenyl]ethanone;2-bromo-5-hydroxybenzaldehyde;4-fluoro-2-hydroxybenzoic acid;1-(4-fluoro-2-hydroxyphenyl)ethanone;bis(1-(4-fluoro-2-methoxyphenyl)ethanone)

bis(4-bromo-3-(1,3-dioxolan-2-yl)phenol);1-[4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-methoxyphenyl]ethanone;2-bromo-5-hydroxybenzaldehyde;4-fluoro-2-hydroxybenzoic acid;1-(4-fluoro-2-hydroxyphenyl)ethanone;bis(1-(4-fluoro-2-methoxyphenyl)ethanone) (PubChem CID 159076715) has the molecular formula C76H70Br4F4O22 and a molecular weight of 1730.98 g/mol. Its IUPAC name is bis(4-bromo-3-(1,3-dioxolan-2-yl)phenol);1-[4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-methoxyphenyl]ethanone;2-bromo-5-hydroxybenzaldehyde;4-fluoro-2-hydroxybenzoic acid;1-(4-fluoro-2-hydroxyphenyl)ethanone;bis(1-(4-fluoro-2-methoxyphenyl)ethanone).

Molecular Properties

Compound Namebis(4-bromo-3-(1,3-dioxolan-2-yl)phenol);1-[4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-methoxyphenyl]ethanone;2-bromo-5-hydroxybenzaldehyde;4-fluoro-2-hydroxybenzoic acid;1-(4-fluoro-2-hydroxyphenyl)ethanone;bis(1-(4-fluoro-2-methoxyphenyl)ethanone)
PubChem CID159076715
Molecular FormulaC76H70Br4F4O22
Molecular Weight1730.98 g/mol
Exact Mass1726.10
IUPAC Namebis(4-bromo-3-(1,3-dioxolan-2-yl)phenol);1-[4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-methoxyphenyl]ethanone;2-bromo-5-hydroxybenzaldehyde;4-fluoro-2-hydroxybenzoic acid;1-(4-fluoro-2-hydroxyphenyl)ethanone;bis(1-(4-fluoro-2-methoxyphenyl)ethanone)
SMILESCC(=O)c1ccc(F)cc1O.COc1cc(F)ccc1C(C)=O.COc1cc(F)ccc1C(C)=O.COc1cc(Oc2ccc(Br)c(C3OCCO3)c2)ccc1C(C)=O.O=C(O)c1ccc(F)cc1O.O=Cc1cc(O)ccc1Br.Oc1ccc(Br)c(C2OCCO2)c1.Oc1ccc(Br)c(C2OCCO2)c1
InChIInChI=1S/C18H17BrO5.2C9H9BrO3.2C9H9FO2.C8H7FO2.C7H5BrO2.C7H5FO3/c1-11(20)14-5-3-13(10-17(14)21-2)24-12-4-6-16(19)15(9-12)18-22-7-8-23-18;2*10-8-2-1-6(11)5-7(8)9-12-3-4-13-9;2*1-6(11)8-4-3-7(10)5-9(8)12-2;1-5(10)7-3-2-6(9)4-8(7)11;8-7-2-1-6(10)3-5(7)4-9;8-4-1-2-5(7(10)11)6(9)3-4/h3-6,9-10,18H,7-8H2,1-2H3;2*1-2,5,9,11H,3-4H2;2*3-5H,1-2H3;2-4,11H,1H3;1-4,10H;1-3,9H,(H,10,11)
InChIKeyKAIMYGYJVOBBGE-UHFFFAOYSA-N
XLogP17.90
TPSA316.10 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001730.98
LogP ≤ 517.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze bis(4-bromo-3-(1,3-dioxolan-2-yl)phenol);1-[4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-methoxyphenyl]ethanone;2-bromo-5-hydroxybenzaldehyde;4-fluoro-2-hydroxybenzoic acid;1-(4-fluoro-2-hydroxyphenyl)ethanone;bis(1-(4-fluoro-2-methoxyphenyl)ethanone) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(4-bromo-3-(1,3-dioxolan-2-yl)phenol);1-[4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-methoxyphenyl]ethanone;2-bromo-5-hydroxybenzaldehyde;4-fluoro-2-hydroxybenzoic acid;1-(4-fluoro-2-hydroxyphenyl)ethanone;bis(1-(4-fluoro-2-methoxyphenyl)ethanone)?
The IUPAC name of bis(4-bromo-3-(1,3-dioxolan-2-yl)phenol);1-[4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-methoxyphenyl]ethanone;2-bromo-5-hydroxybenzaldehyde;4-fluoro-2-hydroxybenzoic acid;1-(4-fluoro-2-hydroxyphenyl)ethanone;bis(1-(4-fluoro-2-methoxyphenyl)ethanone) (CID 159076715) is bis(4-bromo-3-(1,3-dioxolan-2-yl)phenol);1-[4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-methoxyphenyl]ethanone;2-bromo-5-hydroxybenzaldehyde;4-fluoro-2-hydroxybenzoic acid;1-(4-fluoro-2-hydroxyphenyl)ethanone;bis(1-(4-fluoro-2-methoxyphenyl)ethanone).
What is the SMILES notation for bis(4-bromo-3-(1,3-dioxolan-2-yl)phenol);1-[4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-methoxyphenyl]ethanone;2-bromo-5-hydroxybenzaldehyde;4-fluoro-2-hydroxybenzoic acid;1-(4-fluoro-2-hydroxyphenyl)ethanone;bis(1-(4-fluoro-2-methoxyphenyl)ethanone)?
The canonical SMILES for bis(4-bromo-3-(1,3-dioxolan-2-yl)phenol);1-[4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-methoxyphenyl]ethanone;2-bromo-5-hydroxybenzaldehyde;4-fluoro-2-hydroxybenzoic acid;1-(4-fluoro-2-hydroxyphenyl)ethanone;bis(1-(4-fluoro-2-methoxyphenyl)ethanone) is CC(=O)c1ccc(F)cc1O.COc1cc(F)ccc1C(C)=O.COc1cc(F)ccc1C(C)=O.COc1cc(Oc2ccc(Br)c(C3OCCO3)c2)ccc1C(C)=O.O=C(O)c1ccc(F)cc1O.O=Cc1cc(O)ccc1Br.Oc1ccc(Br)c(C2OCCO2)c1.Oc1ccc(Br)c(C2OCCO2)c1.
What is the InChIKey of bis(4-bromo-3-(1,3-dioxolan-2-yl)phenol);1-[4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-methoxyphenyl]ethanone;2-bromo-5-hydroxybenzaldehyde;4-fluoro-2-hydroxybenzoic acid;1-(4-fluoro-2-hydroxyphenyl)ethanone;bis(1-(4-fluoro-2-methoxyphenyl)ethanone)?
The InChIKey is KAIMYGYJVOBBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO5.2C9H9BrO3.2C9H9FO2.C8H7FO2.C7H5BrO2.C7H5FO3/c1-11(20)14-5-3-13(10-17(14)21-2)24-12-4-6-16(19)15(9-12)18-22-7-8-23-18;2*10-8-2-1-6(11)5-7(8)9-12-3-4-13-9;2*1-6(11)8-4-3-7(10)5-9(8)12-2;1-5(10)7-3-2-6(9)4-8(7)11;8-7-2-1-6(10)3-5(7)4-9;8-4-1-2-5(7(10)11)6(9)3-4/h3-6,9-10,18H,7-8H2,1-2H3;2*1-2,5,9,11H,3-4H2;2*3-5H,1-2H3;2-4,11H,1H3;1-4,10H;1-3,9H,(H,10,11).
What are the key properties of bis(4-bromo-3-(1,3-dioxolan-2-yl)phenol);1-[4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-methoxyphenyl]ethanone;2-bromo-5-hydroxybenzaldehyde;4-fluoro-2-hydroxybenzoic acid;1-(4-fluoro-2-hydroxyphenyl)ethanone;bis(1-(4-fluoro-2-methoxyphenyl)ethanone)?
bis(4-bromo-3-(1,3-dioxolan-2-yl)phenol);1-[4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-methoxyphenyl]ethanone;2-bromo-5-hydroxybenzaldehyde;4-fluoro-2-hydroxybenzoic acid;1-(4-fluoro-2-hydroxyphenyl)ethanone;bis(1-(4-fluoro-2-methoxyphenyl)ethanone) has a molecular weight of 1730.98 g/mol, XLogP of 17.90, 14 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromo-3-(1,3-dioxolan-2-yl)phenol);1-[4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-methoxyphenyl]ethanone;2-bromo-5-hydroxybenzaldehyde;4-fluoro-2-hydroxybenzoic acid;1-(4-fluoro-2-hydroxyphenyl)ethanone;bis(1-(4-fluoro-2-methoxyphenyl)ethanone) is sourced from PubChem (CID 159076715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).