2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone

C17H17BrO2S — CID 104659319

IUPAC2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone
SMILESCCCOc1ccccc1C(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C17H17BrO2S/c1-2-11-20-17-6-4-3-5-15(17)16(19)12-21-14-9-7-13(18)8-10-14/h3-10H,2,11-12H2,1H3
InChIKeyRPLUUQRCYQYFTJ-UHFFFAOYSA-N
MW365.29 g/mol
LogP5.21
Rot. Bonds7

About 2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone

2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone (PubChem CID 104659319) has the molecular formula C17H17BrO2S and a molecular weight of 365.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone
PubChem CID104659319
Molecular FormulaC17H17BrO2S
Molecular Weight365.29 g/mol
Exact Mass364.01
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone
SMILESCCCOc1ccccc1C(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C17H17BrO2S/c1-2-11-20-17-6-4-3-5-15(17)16(19)12-21-14-9-7-13(18)8-10-14/h3-10H,2,11-12H2,1H3
InChIKeyRPLUUQRCYQYFTJ-UHFFFAOYSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.29
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659274
2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659325
1-[2-[2-(4-bromophenyl)sulfanylethoxy]phenyl]ethanone
CID 43412618
1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43802210
2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659280
2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone
CID 104659158
1-(4-bromophenyl)sulfanyl-3-propoxypropan-2-one
CID 79566888
2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
CID 61056257
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
(2-methylphenyl) 5-bromo-2-propoxybenzoate
CID 23012690
2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 62029870

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone (CID 104659319) is 2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone is CCCOc1ccccc1C(=O)CSc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone?
The InChIKey is RPLUUQRCYQYFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2S/c1-2-11-20-17-6-4-3-5-15(17)16(19)12-21-14-9-7-13(18)8-10-14/h3-10H,2,11-12H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone?
2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone has a molecular weight of 365.29 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone is sourced from PubChem (CID 104659319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).