2-bromo-4-(4-propan-2-yloxythiophen-2-yl)phenol

C13H13BrO2S — CID 174322650

IUPAC2-bromo-4-(4-propan-2-yloxythiophen-2-yl)phenol
SMILESCC(C)Oc1csc(-c2ccc(O)c(Br)c2)c1
InChIInChI=1S/C13H13BrO2S/c1-8(2)16-10-6-13(17-7-10)9-3-4-12(15)11(14)5-9/h3-8,15H,1-2H3
InChIKeyHIKJJIUMHCJBQW-UHFFFAOYSA-N
MW313.22 g/mol
LogP4.67
Rot. Bonds3

About 2-bromo-4-(4-propan-2-yloxythiophen-2-yl)phenol

2-bromo-4-(4-propan-2-yloxythiophen-2-yl)phenol (PubChem CID 174322650) has the molecular formula C13H13BrO2S and a molecular weight of 313.22 g/mol. Its IUPAC name is 2-bromo-4-(4-propan-2-yloxythiophen-2-yl)phenol.

Molecular Properties

Compound Name2-bromo-4-(4-propan-2-yloxythiophen-2-yl)phenol
PubChem CID174322650
Molecular FormulaC13H13BrO2S
Molecular Weight313.22 g/mol
Exact Mass311.98
IUPAC Name2-bromo-4-(4-propan-2-yloxythiophen-2-yl)phenol
SMILESCC(C)Oc1csc(-c2ccc(O)c(Br)c2)c1
InChIInChI=1S/C13H13BrO2S/c1-8(2)16-10-6-13(17-7-10)9-3-4-12(15)11(14)5-9/h3-8,15H,1-2H3
InChIKeyHIKJJIUMHCJBQW-UHFFFAOYSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11492848
5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde
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CID 83131131
4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole
CID 79402988
2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene
CID 130848311
2-fluoro-4-(3-propan-2-yloxyphenyl)phenol
CID 83130174
2,5-di(propan-2-yloxy)phenol
CID 57426094
4-[(1R)-1-aminoethyl]-2-bromophenol
CID 78938003
2-bromo-4-[(3-chloro-4-propan-2-yloxyanilino)methyl]phenol
CID 60981482
1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one
CID 154180149
2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol
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1,3-dibromo-5-propan-2-yloxybenzene
CID 50998234

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-propan-2-yloxythiophen-2-yl)phenol?
The IUPAC name of 2-bromo-4-(4-propan-2-yloxythiophen-2-yl)phenol (CID 174322650) is 2-bromo-4-(4-propan-2-yloxythiophen-2-yl)phenol.
What is the SMILES notation for 2-bromo-4-(4-propan-2-yloxythiophen-2-yl)phenol?
The canonical SMILES for 2-bromo-4-(4-propan-2-yloxythiophen-2-yl)phenol is CC(C)Oc1csc(-c2ccc(O)c(Br)c2)c1.
What is the InChIKey of 2-bromo-4-(4-propan-2-yloxythiophen-2-yl)phenol?
The InChIKey is HIKJJIUMHCJBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2S/c1-8(2)16-10-6-13(17-7-10)9-3-4-12(15)11(14)5-9/h3-8,15H,1-2H3.
What are the key properties of 2-bromo-4-(4-propan-2-yloxythiophen-2-yl)phenol?
2-bromo-4-(4-propan-2-yloxythiophen-2-yl)phenol has a molecular weight of 313.22 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-propan-2-yloxythiophen-2-yl)phenol is sourced from PubChem (CID 174322650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).