1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene

C10H12BrFOS — CID 164893480

IUPAC1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene
SMILESCCCOc1ccc(Br)c(F)c1SC
InChIInChI=1S/C10H12BrFOS/c1-3-6-13-8-5-4-7(11)9(12)10(8)14-2/h4-5H,3,6H2,1-2H3
InChIKeyJZVKAXVXAIUECA-UHFFFAOYSA-N
MW279.17 g/mol
LogP4.10
Rot. Bonds4

About 1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene

1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene (PubChem CID 164893480) has the molecular formula C10H12BrFOS and a molecular weight of 279.17 g/mol. Its IUPAC name is 1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene
PubChem CID164893480
Molecular FormulaC10H12BrFOS
Molecular Weight279.17 g/mol
Exact Mass277.98
IUPAC Name1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene
SMILESCCCOc1ccc(Br)c(F)c1SC
InChIInChI=1S/C10H12BrFOS/c1-3-6-13-8-5-4-7(11)9(12)10(8)14-2/h4-5H,3,6H2,1-2H3
InChIKeyJZVKAXVXAIUECA-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3-fluoro-2-methyl-4-propoxybenzene
CID 146811600
1-methylsulfanyl-2-propoxynaphthalene
CID 91657285
(3-fluoro-2-methylsulfanyl-4-propoxyphenyl)boronic acid
CID 164896166
1,2,3-tribromo-4-propoxybenzene
CID 70578874
1-bromo-2,4-difluoro-5-propoxybenzene
CID 125115840
2-bromo-4-methyl-1-propoxybenzene
CID 21057754
(2,6-difluoro-3-propoxyphenyl)methanol
CID 163198202
1-fluoro-4-methylsulfanyl-2-propoxybenzene
CID 91657322
1-bromo-3-fluoro-2-methylsulfanyl-4-(trifluoromethoxy)benzene
CID 171033271
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
4-propoxybenzene-1,3-diol
CID 66563298
(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol
CID 104661170

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene?
The IUPAC name of 1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene (CID 164893480) is 1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene.
What is the SMILES notation for 1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene?
The canonical SMILES for 1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene is CCCOc1ccc(Br)c(F)c1SC.
What is the InChIKey of 1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene?
The InChIKey is JZVKAXVXAIUECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFOS/c1-3-6-13-8-5-4-7(11)9(12)10(8)14-2/h4-5H,3,6H2,1-2H3.
What are the key properties of 1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene?
1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene has a molecular weight of 279.17 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene is sourced from PubChem (CID 164893480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).