3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol

C12H15BrOS — CID 117463287

IUPAC3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol
SMILESOCCCc1ccc(SC2CC2)c(Br)c1
InChIInChI=1S/C12H15BrOS/c13-11-8-9(2-1-7-14)3-6-12(11)15-10-4-5-10/h3,6,8,10,14H,1-2,4-5,7H2
InChIKeyHQNLNRUVHVYEIM-UHFFFAOYSA-N
MW287.22 g/mol
LogP3.63
Rot. Bonds5

About 3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol

3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol (PubChem CID 117463287) has the molecular formula C12H15BrOS and a molecular weight of 287.22 g/mol. Its IUPAC name is 3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol
PubChem CID117463287
Molecular FormulaC12H15BrOS
Molecular Weight287.22 g/mol
Exact Mass286.00
IUPAC Name3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol
SMILESOCCCc1ccc(SC2CC2)c(Br)c1
InChIInChI=1S/C12H15BrOS/c13-11-8-9(2-1-7-14)3-6-12(11)15-10-4-5-10/h3,6,8,10,14H,1-2,4-5,7H2
InChIKeyHQNLNRUVHVYEIM-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol?
The IUPAC name of 3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol (CID 117463287) is 3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol is OCCCc1ccc(SC2CC2)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol?
The InChIKey is HQNLNRUVHVYEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrOS/c13-11-8-9(2-1-7-14)3-6-12(11)15-10-4-5-10/h3,6,8,10,14H,1-2,4-5,7H2.
What are the key properties of 3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol?
3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol has a molecular weight of 287.22 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 117463287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).