5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol

C17H25BrOS — CID 11279764

IUPAC5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol
SMILESCCCCC(O)(CCCC)/C(Br)=C/Sc1ccccc1
InChIInChI=1S/C17H25BrOS/c1-3-5-12-17(19,13-6-4-2)16(18)14-20-15-10-8-7-9-11-15/h7-11,14,19H,3-6,12-13H2,1-2H3/b16-14-
InChIKeyGVLWEWNUFKWLNT-PEZBUJJGSA-N
MW357.36 g/mol
LogP6.13
Rot. Bonds9

About 5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol

5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol (PubChem CID 11279764) has the molecular formula C17H25BrOS and a molecular weight of 357.36 g/mol. Its IUPAC name is 5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol.

Molecular Properties

Compound Name5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol
PubChem CID11279764
Molecular FormulaC17H25BrOS
Molecular Weight357.36 g/mol
Exact Mass356.08
IUPAC Name5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol
SMILESCCCCC(O)(CCCC)/C(Br)=C/Sc1ccccc1
InChIInChI=1S/C17H25BrOS/c1-3-5-12-17(19,13-6-4-2)16(18)14-20-15-10-8-7-9-11-15/h7-11,14,19H,3-6,12-13H2,1-2H3/b16-14-
InChIKeyGVLWEWNUFKWLNT-PEZBUJJGSA-N
XLogP6.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.36
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 551454
1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol
CID 11020834
(1E,3S)-3,7-dimethyl-1-phenylsulfanylocta-1,6-dien-3-ol
CID 11086581
(Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
CID 11231510
(Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol
CID 11266584
(Z)-2-bromo-3,5-dimethyl-1-phenylsulfanylhex-1-en-3-ol
CID 11427034
(Z)-2-bromo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol
CID 11461194
(Z)-3-bromo-2-methyl-4-phenylsulfanylbut-3-en-2-ol
CID 11471287
6-[(Z)-1-bromo-2-phenylsulfanylethenyl]undecan-6-ol
CID 11474616
1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol
CID 11483798
3-Methyl-6-phenylsulfanylhept-1-en-3-ol
CID 11506945
1-(1-Phenylsulfanylethyl)cyclohexan-1-ol
CID 11736509

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol?
The IUPAC name of 5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol (CID 11279764) is 5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol.
What is the SMILES notation for 5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol?
The canonical SMILES for 5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol is CCCCC(O)(CCCC)/C(Br)=C/Sc1ccccc1.
What is the InChIKey of 5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol?
The InChIKey is GVLWEWNUFKWLNT-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H25BrOS/c1-3-5-12-17(19,13-6-4-2)16(18)14-20-15-10-8-7-9-11-15/h7-11,14,19H,3-6,12-13H2,1-2H3/b16-14-.
What are the key properties of 5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol?
5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol has a molecular weight of 357.36 g/mol, XLogP of 6.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol is sourced from PubChem (CID 11279764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).