4-bromo-2-(5-bromo-2-methoxyphenyl)-1-methoxybenzene;deuteriomethanethiol;2-(2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;1-methoxy-2-(2-methoxyphenyl)benzene;1-methoxy-2-(2-methoxy-5-prop-2-enylphenyl)-4-prop-2-enylbenzene;molecular bromine

C79H80Br4O10S — CID 160592180

IUPAC4-bromo-2-(5-bromo-2-methoxyphenyl)-1-methoxybenzene;deuteriomethanethiol;2-(2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;1-methoxy-2-(2-methoxyphenyl)benzene;1-methoxy-2-(2-methoxy-5-prop-2-enylphenyl)-4-prop-2-enylbenzene;molecular bromine
SMILESBrBr.C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.C=CCc1ccc(OC)c(-c2cc(CC=C)ccc2OC)c1.COc1ccc(Br)cc1-c1cc(Br)ccc1OC.COc1ccccc1-c1ccccc1OC.Oc1ccccc1-c1ccccc1O.[2H]CS
InChIInChI=1S/C20H22O2.C18H18O2.C14H12Br2O2.C14H14O2.C12H10O2.CH4S.Br2/c1-5-7-15-9-11-19(21-3)17(13-15)18-14-16(8-6-2)10-12-20(18)22-4;1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20;1-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)18-2;1-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16-2;13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;2*1-2/h5-6,9-14H,1-2,7-8H2,3-4H3;3-4,7-12,19-20H,1-2,5-6H2;3-8H,1-2H3;3-10H,1-2H3;1-8,13-14H;2H,1H3;/i;;;;;1D;
InChIKeyRDECRAZEJWTUQW-OGKIIUBNSA-N
MW1542.19 g/mol
LogP22.32
Rot. Bonds19

About 4-bromo-2-(5-bromo-2-methoxyphenyl)-1-methoxybenzene;deuteriomethanethiol;2-(2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;1-methoxy-2-(2-methoxyphenyl)benzene;1-methoxy-2-(2-methoxy-5-prop-2-enylphenyl)-4-prop-2-enylbenzene;molecular bromine

4-bromo-2-(5-bromo-2-methoxyphenyl)-1-methoxybenzene;deuteriomethanethiol;2-(2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;1-methoxy-2-(2-methoxyphenyl)benzene;1-methoxy-2-(2-methoxy-5-prop-2-enylphenyl)-4-prop-2-enylbenzene;molecular bromine (PubChem CID 160592180) has the molecular formula C79H80Br4O10S and a molecular weight of 1542.19 g/mol. Its IUPAC name is 4-bromo-2-(5-bromo-2-methoxyphenyl)-1-methoxybenzene;deuteriomethanethiol;2-(2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;1-methoxy-2-(2-methoxyphenyl)benzene;1-methoxy-2-(2-methoxy-5-prop-2-enylphenyl)-4-prop-2-enylbenzene;molecular bromine.

Molecular Properties

Compound Name4-bromo-2-(5-bromo-2-methoxyphenyl)-1-methoxybenzene;deuteriomethanethiol;2-(2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;1-methoxy-2-(2-methoxyphenyl)benzene;1-methoxy-2-(2-methoxy-5-prop-2-enylphenyl)-4-prop-2-enylbenzene;molecular bromine
PubChem CID160592180
Molecular FormulaC79H80Br4O10S
Molecular Weight1542.19 g/mol
Exact Mass1537.23
IUPAC Name4-bromo-2-(5-bromo-2-methoxyphenyl)-1-methoxybenzene;deuteriomethanethiol;2-(2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;1-methoxy-2-(2-methoxyphenyl)benzene;1-methoxy-2-(2-methoxy-5-prop-2-enylphenyl)-4-prop-2-enylbenzene;molecular bromine
SMILESBrBr.C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.C=CCc1ccc(OC)c(-c2cc(CC=C)ccc2OC)c1.COc1ccc(Br)cc1-c1cc(Br)ccc1OC.COc1ccccc1-c1ccccc1OC.Oc1ccccc1-c1ccccc1O.[2H]CS
InChIInChI=1S/C20H22O2.C18H18O2.C14H12Br2O2.C14H14O2.C12H10O2.CH4S.Br2/c1-5-7-15-9-11-19(21-3)17(13-15)18-14-16(8-6-2)10-12-20(18)22-4;1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20;1-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)18-2;1-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16-2;13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;2*1-2/h5-6,9-14H,1-2,7-8H2,3-4H3;3-4,7-12,19-20H,1-2,5-6H2;3-8H,1-2H3;3-10H,1-2H3;1-8,13-14H;2H,1H3;/i;;;;;1D;
InChIKeyRDECRAZEJWTUQW-OGKIIUBNSA-N
XLogP22.32
TPSA136.30 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001542.19
LogP ≤ 522.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-bromo-2-(5-bromo-2-methoxyphenyl)-1-methoxybenzene;deuteriomethanethiol;2-(2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;1-methoxy-2-(2-methoxyphenyl)benzene;1-methoxy-2-(2-methoxy-5-prop-2-enylphenyl)-4-prop-2-enylbenzene;molecular bromine with MolForge

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Related Compounds

ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 159824823
2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 118955388
4-(2-methoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 11857938
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
CID 69284850
CID 69284850
4-bromo-2-(2-hydroxyphenyl)phenol
CID 11219298
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786
1-bromo-2-methoxy-4-prop-2-enylbenzene
CID 70188146
1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene
CID 170842008
1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
CID 123654669
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol
CID 163721087

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-bromo-2-methoxyphenyl)-1-methoxybenzene;deuteriomethanethiol;2-(2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;1-methoxy-2-(2-methoxyphenyl)benzene;1-methoxy-2-(2-methoxy-5-prop-2-enylphenyl)-4-prop-2-enylbenzene;molecular bromine?
The IUPAC name of 4-bromo-2-(5-bromo-2-methoxyphenyl)-1-methoxybenzene;deuteriomethanethiol;2-(2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;1-methoxy-2-(2-methoxyphenyl)benzene;1-methoxy-2-(2-methoxy-5-prop-2-enylphenyl)-4-prop-2-enylbenzene;molecular bromine (CID 160592180) is 4-bromo-2-(5-bromo-2-methoxyphenyl)-1-methoxybenzene;deuteriomethanethiol;2-(2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;1-methoxy-2-(2-methoxyphenyl)benzene;1-methoxy-2-(2-methoxy-5-prop-2-enylphenyl)-4-prop-2-enylbenzene;molecular bromine.
What is the SMILES notation for 4-bromo-2-(5-bromo-2-methoxyphenyl)-1-methoxybenzene;deuteriomethanethiol;2-(2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;1-methoxy-2-(2-methoxyphenyl)benzene;1-methoxy-2-(2-methoxy-5-prop-2-enylphenyl)-4-prop-2-enylbenzene;molecular bromine?
The canonical SMILES for 4-bromo-2-(5-bromo-2-methoxyphenyl)-1-methoxybenzene;deuteriomethanethiol;2-(2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;1-methoxy-2-(2-methoxyphenyl)benzene;1-methoxy-2-(2-methoxy-5-prop-2-enylphenyl)-4-prop-2-enylbenzene;molecular bromine is BrBr.C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.C=CCc1ccc(OC)c(-c2cc(CC=C)ccc2OC)c1.COc1ccc(Br)cc1-c1cc(Br)ccc1OC.COc1ccccc1-c1ccccc1OC.Oc1ccccc1-c1ccccc1O.[2H]CS.
What is the InChIKey of 4-bromo-2-(5-bromo-2-methoxyphenyl)-1-methoxybenzene;deuteriomethanethiol;2-(2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;1-methoxy-2-(2-methoxyphenyl)benzene;1-methoxy-2-(2-methoxy-5-prop-2-enylphenyl)-4-prop-2-enylbenzene;molecular bromine?
The InChIKey is RDECRAZEJWTUQW-OGKIIUBNSA-N. The full InChI is InChI=1S/C20H22O2.C18H18O2.C14H12Br2O2.C14H14O2.C12H10O2.CH4S.Br2/c1-5-7-15-9-11-19(21-3)17(13-15)18-14-16(8-6-2)10-12-20(18)22-4;1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20;1-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)18-2;1-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16-2;13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;2*1-2/h5-6,9-14H,1-2,7-8H2,3-4H3;3-4,7-12,19-20H,1-2,5-6H2;3-8H,1-2H3;3-10H,1-2H3;1-8,13-14H;2H,1H3;/i;;;;;1D;.
What are the key properties of 4-bromo-2-(5-bromo-2-methoxyphenyl)-1-methoxybenzene;deuteriomethanethiol;2-(2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;1-methoxy-2-(2-methoxyphenyl)benzene;1-methoxy-2-(2-methoxy-5-prop-2-enylphenyl)-4-prop-2-enylbenzene;molecular bromine?
4-bromo-2-(5-bromo-2-methoxyphenyl)-1-methoxybenzene;deuteriomethanethiol;2-(2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;1-methoxy-2-(2-methoxyphenyl)benzene;1-methoxy-2-(2-methoxy-5-prop-2-enylphenyl)-4-prop-2-enylbenzene;molecular bromine has a molecular weight of 1542.19 g/mol, XLogP of 22.32, 19 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(5-bromo-2-methoxyphenyl)-1-methoxybenzene;deuteriomethanethiol;2-(2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;1-methoxy-2-(2-methoxyphenyl)benzene;1-methoxy-2-(2-methoxy-5-prop-2-enylphenyl)-4-prop-2-enylbenzene;molecular bromine is sourced from PubChem (CID 160592180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).