(Z)-2-bromo-3-phenylsulfanylhept-2-en-1-ol

C13H17BrOS — CID 11738154

IUPAC(Z)-2-bromo-3-phenylsulfanylhept-2-en-1-ol
SMILESCCCC/C(Sc1ccccc1)=C(/Br)CO
InChIInChI=1S/C13H17BrOS/c1-2-3-9-13(12(14)10-15)16-11-7-5-4-6-8-11/h4-8,15H,2-3,9-10H2,1H3/b13-12-
InChIKeyACFSDEXYGGPKDH-SEYXRHQNSA-N
MW301.25 g/mol
LogP4.57
Rot. Bonds6

About (Z)-2-bromo-3-phenylsulfanylhept-2-en-1-ol

(Z)-2-bromo-3-phenylsulfanylhept-2-en-1-ol (PubChem CID 11738154) has the molecular formula C13H17BrOS and a molecular weight of 301.25 g/mol. Its IUPAC name is (Z)-2-bromo-3-phenylsulfanylhept-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-bromo-3-phenylsulfanylhept-2-en-1-ol
PubChem CID11738154
Molecular FormulaC13H17BrOS
Molecular Weight301.25 g/mol
Exact Mass300.02
IUPAC Name(Z)-2-bromo-3-phenylsulfanylhept-2-en-1-ol
SMILESCCCC/C(Sc1ccccc1)=C(/Br)CO
InChIInChI=1S/C13H17BrOS/c1-2-3-9-13(12(14)10-15)16-11-7-5-4-6-8-11/h4-8,15H,2-3,9-10H2,1H3/b13-12-
InChIKeyACFSDEXYGGPKDH-SEYXRHQNSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Buten-1-ol, 3-methyl-4-(phenylthio)-, (E)-
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(Z)-2-methyl-4-phenylsulfanylbut-2-en-1-ol
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4-Phenylthio-3-methylbut-2z-en-1-ol
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(2E)-4-(Phenylsulfanyl)but-2-en-1-ol
CID 5882534
2-(Phenylsulfanyl)prop-2-en-1-ol
CID 12923798
1-Phenylsulfanylpropan-1-ol
CID 15310129
3-Phenylsulfanylprop-2-en-1-ol
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(E)-1,1-difluoro-1-phenylsulfanylpent-3-en-2-ol
CID 102468057

Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-3-phenylsulfanylhept-2-en-1-ol?
The IUPAC name of (Z)-2-bromo-3-phenylsulfanylhept-2-en-1-ol (CID 11738154) is (Z)-2-bromo-3-phenylsulfanylhept-2-en-1-ol.
What is the SMILES notation for (Z)-2-bromo-3-phenylsulfanylhept-2-en-1-ol?
The canonical SMILES for (Z)-2-bromo-3-phenylsulfanylhept-2-en-1-ol is CCCC/C(Sc1ccccc1)=C(/Br)CO.
What is the InChIKey of (Z)-2-bromo-3-phenylsulfanylhept-2-en-1-ol?
The InChIKey is ACFSDEXYGGPKDH-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H17BrOS/c1-2-3-9-13(12(14)10-15)16-11-7-5-4-6-8-11/h4-8,15H,2-3,9-10H2,1H3/b13-12-.
What are the key properties of (Z)-2-bromo-3-phenylsulfanylhept-2-en-1-ol?
(Z)-2-bromo-3-phenylsulfanylhept-2-en-1-ol has a molecular weight of 301.25 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-3-phenylsulfanylhept-2-en-1-ol is sourced from PubChem (CID 11738154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).