(Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol

C13H17BrOS — CID 11266584

IUPAC(Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol
SMILESCCC(O)(CC)/C(Br)=C/Sc1ccccc1
InChIInChI=1S/C13H17BrOS/c1-3-13(15,4-2)12(14)10-16-11-8-6-5-7-9-11/h5-10,15H,3-4H2,1-2H3/b12-10-
InChIKeyGTAIMJHYTLKGGP-BENRWUELSA-N
MW301.25 g/mol
LogP4.57
Rot. Bonds5

About (Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol

(Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol (PubChem CID 11266584) has the molecular formula C13H17BrOS and a molecular weight of 301.25 g/mol. Its IUPAC name is (Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol
PubChem CID11266584
Molecular FormulaC13H17BrOS
Molecular Weight301.25 g/mol
Exact Mass300.02
IUPAC Name(Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol
SMILESCCC(O)(CC)/C(Br)=C/Sc1ccccc1
InChIInChI=1S/C13H17BrOS/c1-3-13(15,4-2)12(14)10-16-11-8-6-5-7-9-11/h5-10,15H,3-4H2,1-2H3/b12-10-
InChIKeyGTAIMJHYTLKGGP-BENRWUELSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

4-Fluoro-2-methyl-3-phenylsulfanylbutan-2-ol
CID 13596561
3,7-Dimethyl-5-(phenylthio)octa-1,6-dien-3-ol
CID 551454
(E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol
CID 10943381
2-Methyl-1-phenylsulfanylbut-3-en-2-ol
CID 12697567
(1E,3S)-3,7-dimethyl-1-phenylsulfanylocta-1,6-dien-3-ol
CID 11086581
(Z)-2-bromo-3-phenylsulfanylprop-2-en-1-ol
CID 11149246
(Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol
CID 11173710
(Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
CID 11231510
(Z)-3-bromo-4-phenylsulfanylbut-3-en-2-ol
CID 11253933
5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol
CID 11279764
(Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
CID 11359552
(Z)-2-bromo-3,5-dimethyl-1-phenylsulfanylhex-1-en-3-ol
CID 11427034

Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol?
The IUPAC name of (Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol (CID 11266584) is (Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol.
What is the SMILES notation for (Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol?
The canonical SMILES for (Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol is CCC(O)(CC)/C(Br)=C/Sc1ccccc1.
What is the InChIKey of (Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol?
The InChIKey is GTAIMJHYTLKGGP-BENRWUELSA-N. The full InChI is InChI=1S/C13H17BrOS/c1-3-13(15,4-2)12(14)10-16-11-8-6-5-7-9-11/h5-10,15H,3-4H2,1-2H3/b12-10-.
What are the key properties of (Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol?
(Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol has a molecular weight of 301.25 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol is sourced from PubChem (CID 11266584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).