3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride

C10H10BrClO2S — CID 177227566

IUPAC3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride
SMILESO=S(Cl)C1CC(Oc2ccc(Br)cc2)C1
InChIInChI=1S/C10H10BrClO2S/c11-7-1-3-8(4-2-7)14-9-5-10(6-9)15(12)13/h1-4,9-10H,5-6H2
InChIKeyNUPLVJHXNCQSGP-UHFFFAOYSA-N
MW309.61 g/mol
LogP3.26
Rot. Bonds3

About 3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride

3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride (PubChem CID 177227566) has the molecular formula C10H10BrClO2S and a molecular weight of 309.61 g/mol. Its IUPAC name is 3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride.

Molecular Properties

Compound Name3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride
PubChem CID177227566
Molecular FormulaC10H10BrClO2S
Molecular Weight309.61 g/mol
Exact Mass307.93
IUPAC Name3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride
SMILESO=S(Cl)C1CC(Oc2ccc(Br)cc2)C1
InChIInChI=1S/C10H10BrClO2S/c11-7-1-3-8(4-2-7)14-9-5-10(6-9)15(12)13/h1-4,9-10H,5-6H2
InChIKeyNUPLVJHXNCQSGP-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.61
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride?
The IUPAC name of 3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride (CID 177227566) is 3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride.
What is the SMILES notation for 3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride?
The canonical SMILES for 3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride is O=S(Cl)C1CC(Oc2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride?
The InChIKey is NUPLVJHXNCQSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2S/c11-7-1-3-8(4-2-7)14-9-5-10(6-9)15(12)13/h1-4,9-10H,5-6H2.
What are the key properties of 3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride?
3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride has a molecular weight of 309.61 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride is sourced from PubChem (CID 177227566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).