2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene

C22H25BrO2S2 — CID 123312075

IUPAC2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene
SMILESCOc1cccc(OC(C)C)c1-c1sc(-c2sc(Br)c(C)c2C)c(C)c1C
InChIInChI=1S/C22H25BrO2S2/c1-11(2)25-17-10-8-9-16(24-7)18(17)19-12(3)13(4)20(26-19)21-14(5)15(6)22(23)27-21/h8-11H,1-7H3
InChIKeyPOIKXXVBOYPHJA-UHFFFAOYSA-N
MW465.48 g/mol
LogP7.94
Rot. Bonds5

About 2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene

2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene (PubChem CID 123312075) has the molecular formula C22H25BrO2S2 and a molecular weight of 465.48 g/mol. Its IUPAC name is 2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene.

Molecular Properties

Compound Name2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene
PubChem CID123312075
Molecular FormulaC22H25BrO2S2
Molecular Weight465.48 g/mol
Exact Mass464.05
IUPAC Name2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene
SMILESCOc1cccc(OC(C)C)c1-c1sc(-c2sc(Br)c(C)c2C)c(C)c1C
InChIInChI=1S/C22H25BrO2S2/c1-11(2)25-17-10-8-9-16(24-7)18(17)19-12(3)13(4)20(26-19)21-14(5)15(6)22(23)27-21/h8-11H,1-7H3
InChIKeyPOIKXXVBOYPHJA-UHFFFAOYSA-N
XLogP7.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene
CID 123458181
1-[2-(5-bromo-3,4-dimethylthiophen-2-yl)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one
CID 130352993
4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine
CID 123796781
2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene
CID 71105098
ethyl 2-[2-[5-[5-[5-[3-(2-ethoxy-2-oxoethyl)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]acetate
CID 118656644
2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene
CID 71105084
2-bromo-1,3-di(propan-2-yloxy)benzene
CID 102493711
ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]acetate
CID 129069085
2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophene;boranuide;2,5-dibromothiophene;ethane;(2-methoxy-6-propan-2-yloxyphenyl)boronic acid
CID 161274134
1-bromo-3-methoxy-2-methylbenzene
CID 18505255
3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid
CID 19594924
2-bromo-1,3-bis(2,6-dimethoxyphenyl)benzene
CID 51042386

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene?
The IUPAC name of 2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene (CID 123312075) is 2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene.
What is the SMILES notation for 2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene?
The canonical SMILES for 2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene is COc1cccc(OC(C)C)c1-c1sc(-c2sc(Br)c(C)c2C)c(C)c1C.
What is the InChIKey of 2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene?
The InChIKey is POIKXXVBOYPHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrO2S2/c1-11(2)25-17-10-8-9-16(24-7)18(17)19-12(3)13(4)20(26-19)21-14(5)15(6)22(23)27-21/h8-11H,1-7H3.
What are the key properties of 2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene?
2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene has a molecular weight of 465.48 g/mol, XLogP of 7.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene is sourced from PubChem (CID 123312075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).