1-(4-bromophenyl)-2-cyclohexylsulfanylethanone

C14H17BrOS — CID 727047

IUPAC1-(4-bromophenyl)-2-cyclohexylsulfanylethanone
SMILESO=C(CSC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrOS/c15-12-8-6-11(7-9-12)14(16)10-17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2
InChIKeyZNEBLXAHDQSLPX-UHFFFAOYSA-N
MW313.26 g/mol
LogP4.70
Rot. Bonds4

About 1-(4-bromophenyl)-2-cyclohexylsulfanylethanone

1-(4-bromophenyl)-2-cyclohexylsulfanylethanone (PubChem CID 727047) has the molecular formula C14H17BrOS and a molecular weight of 313.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-cyclohexylsulfanylethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-cyclohexylsulfanylethanone
PubChem CID727047
Molecular FormulaC14H17BrOS
Molecular Weight313.26 g/mol
Exact Mass312.02
IUPAC Name1-(4-bromophenyl)-2-cyclohexylsulfanylethanone
SMILESO=C(CSC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrOS/c15-12-8-6-11(7-9-12)14(16)10-17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2
InChIKeyZNEBLXAHDQSLPX-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-cyclohexylsulfanylethanone?
The IUPAC name of 1-(4-bromophenyl)-2-cyclohexylsulfanylethanone (CID 727047) is 1-(4-bromophenyl)-2-cyclohexylsulfanylethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-cyclohexylsulfanylethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-cyclohexylsulfanylethanone is O=C(CSC1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-cyclohexylsulfanylethanone?
The InChIKey is ZNEBLXAHDQSLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrOS/c15-12-8-6-11(7-9-12)14(16)10-17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2.
What are the key properties of 1-(4-bromophenyl)-2-cyclohexylsulfanylethanone?
1-(4-bromophenyl)-2-cyclohexylsulfanylethanone has a molecular weight of 313.26 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-cyclohexylsulfanylethanone is sourced from PubChem (CID 727047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).