2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene

C12H19BrOS — CID 146379378

IUPAC2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene
SMILESCCCCC(C)(C)c1cc(OC)sc1Br
InChIInChI=1S/C12H19BrOS/c1-5-6-7-12(2,3)9-8-10(14-4)15-11(9)13/h8H,5-7H2,1-4H3
InChIKeyKPYKUPGEIDVAEF-UHFFFAOYSA-N
MW291.25 g/mol
LogP4.99
Rot. Bonds5

About 2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene

2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene (PubChem CID 146379378) has the molecular formula C12H19BrOS and a molecular weight of 291.25 g/mol. Its IUPAC name is 2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene.

Molecular Properties

Compound Name2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene
PubChem CID146379378
Molecular FormulaC12H19BrOS
Molecular Weight291.25 g/mol
Exact Mass290.03
IUPAC Name2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene
SMILESCCCCC(C)(C)c1cc(OC)sc1Br
InChIInChI=1S/C12H19BrOS/c1-5-6-7-12(2,3)9-8-10(14-4)15-11(9)13/h8H,5-7H2,1-4H3
InChIKeyKPYKUPGEIDVAEF-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene
CID 146378159
2,5-dibromo-3-(4-chloro-2-methylbutan-2-yl)thiophene
CID 79838303
1-methoxy-2-(2-methylundecan-2-yl)benzene
CID 56625929
3-methoxy-5-(2-methylhexan-2-yl)pyridine
CID 130238683
2,3-dichloro-4-(2-methylhexan-2-yl)thiophene
CID 146379385
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
2,4-dibromo-1-(5-methyldecan-5-yl)benzene
CID 134536089
bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silyloxy-bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silane
CID 123703052
2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
5-(3,4-dimethoxyphenyl)nonan-5-amine;hydrochloride
CID 3032230
methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate
CID 37476569

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene?
The IUPAC name of 2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene (CID 146379378) is 2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene.
What is the SMILES notation for 2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene?
The canonical SMILES for 2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene is CCCCC(C)(C)c1cc(OC)sc1Br.
What is the InChIKey of 2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene?
The InChIKey is KPYKUPGEIDVAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrOS/c1-5-6-7-12(2,3)9-8-10(14-4)15-11(9)13/h8H,5-7H2,1-4H3.
What are the key properties of 2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene?
2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene has a molecular weight of 291.25 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene is sourced from PubChem (CID 146379378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).