3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene

C12H11BrO2S — CID 152568718

IUPAC3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene
SMILESCOc1ccc(COc2cscc2Br)cc1
InChIInChI=1S/C12H11BrO2S/c1-14-10-4-2-9(3-5-10)6-15-12-8-16-7-11(12)13/h2-5,7-8H,6H2,1H3
InChIKeyYRAJHVDHJQOPNC-UHFFFAOYSA-N
MW299.19 g/mol
LogP4.10
Rot. Bonds4

About 3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene

3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene (PubChem CID 152568718) has the molecular formula C12H11BrO2S and a molecular weight of 299.19 g/mol. Its IUPAC name is 3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene.

Molecular Properties

Compound Name3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene
PubChem CID152568718
Molecular FormulaC12H11BrO2S
Molecular Weight299.19 g/mol
Exact Mass297.97
IUPAC Name3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene
SMILESCOc1ccc(COc2cscc2Br)cc1
InChIInChI=1S/C12H11BrO2S/c1-14-10-4-2-9(3-5-10)6-15-12-8-16-7-11(12)13/h2-5,7-8H,6H2,1H3
InChIKeyYRAJHVDHJQOPNC-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-(4-methoxyphenoxy)thiophene
CID 173291895
2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene
CID 142468991
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
2-bromo-4-[(4-methoxyphenyl)methoxy]-5-methylaniline
CID 137378485
2-[(4-methoxyphenyl)methoxy]azete
CID 70424831
1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60881982
(1R)-1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932320
methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 171484206
(4-methoxyphenyl)methyl hypobromite
CID 166766888
(4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 142526842
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 43622745

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene?
The IUPAC name of 3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene (CID 152568718) is 3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene.
What is the SMILES notation for 3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene?
The canonical SMILES for 3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene is COc1ccc(COc2cscc2Br)cc1.
What is the InChIKey of 3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene?
The InChIKey is YRAJHVDHJQOPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2S/c1-14-10-4-2-9(3-5-10)6-15-12-8-16-7-11(12)13/h2-5,7-8H,6H2,1H3.
What are the key properties of 3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene?
3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene has a molecular weight of 299.19 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene is sourced from PubChem (CID 152568718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).