4-bromo-2-tert-butylsulfanyl-1-methoxybenzene

C11H15BrOS — CID 156543346

IUPAC4-bromo-2-tert-butylsulfanyl-1-methoxybenzene
SMILESCOc1ccc(Br)cc1SC(C)(C)C
InChIInChI=1S/C11H15BrOS/c1-11(2,3)14-10-7-8(12)5-6-9(10)13-4/h5-7H,1-4H3
InChIKeyHGAIBMVOEOBTCZ-UHFFFAOYSA-N
MW275.21 g/mol
LogP4.35
Rot. Bonds2

About 4-bromo-2-tert-butylsulfanyl-1-methoxybenzene

4-bromo-2-tert-butylsulfanyl-1-methoxybenzene (PubChem CID 156543346) has the molecular formula C11H15BrOS and a molecular weight of 275.21 g/mol. Its IUPAC name is 4-bromo-2-tert-butylsulfanyl-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-tert-butylsulfanyl-1-methoxybenzene
PubChem CID156543346
Molecular FormulaC11H15BrOS
Molecular Weight275.21 g/mol
Exact Mass274.00
IUPAC Name4-bromo-2-tert-butylsulfanyl-1-methoxybenzene
SMILESCOc1ccc(Br)cc1SC(C)(C)C
InChIInChI=1S/C11H15BrOS/c1-11(2,3)14-10-7-8(12)5-6-9(10)13-4/h5-7H,1-4H3
InChIKeyHGAIBMVOEOBTCZ-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene
CID 84706055
4-bromo-2-(3,3-difluorocyclobutyl)sulfanyl-1-methoxybenzene
CID 156543234
4-bromo-2-(1-bromo-3,3-dimethylbutyl)-1-methoxybenzene
CID 63435538
4-bromo-2-[(5-bromo-2-methoxyphenyl)-(4-bromophenyl)methyl]-1-methoxybenzene
CID 50999142
3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol
CID 156543524
1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 63832427
1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene
CID 63438155
1-(4-bromo-2-tert-butylsulfanylphenyl)propan-2-amine
CID 63835990
(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 10980049
2-tert-butylsulfanyl-4,5-dimethoxyaniline
CID 83008107
4-bromo-2-methoxy-1-propan-2-yloxybenzene
CID 11149245
4-bromo-2-(1-bromo-3,4,4-trimethylpentyl)-1-methoxybenzene
CID 63832446

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butylsulfanyl-1-methoxybenzene?
The IUPAC name of 4-bromo-2-tert-butylsulfanyl-1-methoxybenzene (CID 156543346) is 4-bromo-2-tert-butylsulfanyl-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-tert-butylsulfanyl-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-tert-butylsulfanyl-1-methoxybenzene is COc1ccc(Br)cc1SC(C)(C)C.
What is the InChIKey of 4-bromo-2-tert-butylsulfanyl-1-methoxybenzene?
The InChIKey is HGAIBMVOEOBTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrOS/c1-11(2,3)14-10-7-8(12)5-6-9(10)13-4/h5-7H,1-4H3.
What are the key properties of 4-bromo-2-tert-butylsulfanyl-1-methoxybenzene?
4-bromo-2-tert-butylsulfanyl-1-methoxybenzene has a molecular weight of 275.21 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-tert-butylsulfanyl-1-methoxybenzene is sourced from PubChem (CID 156543346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).