2-(4-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone

C17H15BrO2S — CID 114521176

IUPAC2-(4-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone
SMILESO=C(CSc1ccc(Br)cc1)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H15BrO2S/c18-13-4-8-16(9-5-13)21-11-17(19)12-2-1-3-15(10-12)20-14-6-7-14/h1-5,8-10,14H,6-7,11H2
InChIKeyGRBYVFHQAMWCTO-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.97
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone

2-(4-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone (PubChem CID 114521176) has the molecular formula C17H15BrO2S and a molecular weight of 363.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone
PubChem CID114521176
Molecular FormulaC17H15BrO2S
Molecular Weight363.28 g/mol
Exact Mass362.00
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone
SMILESO=C(CSc1ccc(Br)cc1)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H15BrO2S/c18-13-4-8-16(9-5-13)21-11-17(19)12-2-1-3-15(10-12)20-14-6-7-14/h1-5,8-10,14H,6-7,11H2
InChIKeyGRBYVFHQAMWCTO-UHFFFAOYSA-N
XLogP4.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 114521180
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
CID 114521119
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
1-(3-bromophenyl)-2-phenylsulfanylethanone
CID 43413344
4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
CID 114523847
1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one
CID 105134475
1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one
CID 105134432
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
(5-chlorofuran-2-yl)-(3-cyclopropyloxyphenyl)methanone
CID 106691334
3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one
CID 114523846
4-[2-(4-bromophenyl)sulfanylacetyl]benzonitrile
CID 2341546
1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114521136

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone (CID 114521176) is 2-(4-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone is O=C(CSc1ccc(Br)cc1)c1cccc(OC2CC2)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone?
The InChIKey is GRBYVFHQAMWCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO2S/c18-13-4-8-16(9-5-13)21-11-17(19)12-2-1-3-15(10-12)20-14-6-7-14/h1-5,8-10,14H,6-7,11H2.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone?
2-(4-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone has a molecular weight of 363.28 g/mol, XLogP of 4.97, 6 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-(3-cyclopropyloxyphenyl)ethanone is sourced from PubChem (CID 114521176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).