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

C12H15BrOS — CID 11231510

IUPAC(Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
SMILESCCC(C)(O)/C(Br)=C/Sc1ccccc1
InChIInChI=1S/C12H15BrOS/c1-3-12(2,14)11(13)9-15-10-7-5-4-6-8-10/h4-9,14H,3H2,1-2H3/b11-9-
InChIKeyHZKQDPBHNAXVHV-LUAWRHEFSA-N
MW287.22 g/mol
LogP4.18
Rot. Bonds4

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

(Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol (PubChem CID 11231510) has the molecular formula C12H15BrOS and a molecular weight of 287.22 g/mol. Its IUPAC name is (Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
PubChem CID11231510
Molecular FormulaC12H15BrOS
Molecular Weight287.22 g/mol
Exact Mass286.00
IUPAC Name(Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
SMILESCCC(C)(O)/C(Br)=C/Sc1ccccc1
InChIInChI=1S/C12H15BrOS/c1-3-12(2,14)11(13)9-15-10-7-5-4-6-8-10/h4-9,14H,3H2,1-2H3/b11-9-
InChIKeyHZKQDPBHNAXVHV-LUAWRHEFSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 373327
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(E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol
CID 10943381
2-Methyl-1-phenylsulfanylbut-3-en-2-ol
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(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)-3-bromo-4-phenylsulfanylbut-3-en-2-ol
CID 11253933
(Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol
CID 11266584
5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol
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(Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
CID 11359552

Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol?
The IUPAC name of (Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol (CID 11231510) is (Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol.
What is the SMILES notation for (Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol?
The canonical SMILES for (Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol is CCC(C)(O)/C(Br)=C/Sc1ccccc1.
What is the InChIKey of (Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol?
The InChIKey is HZKQDPBHNAXVHV-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H15BrOS/c1-3-12(2,14)11(13)9-15-10-7-5-4-6-8-10/h4-9,14H,3H2,1-2H3/b11-9-.
What are the key properties of (Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol?
(Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol has a molecular weight of 287.22 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol is sourced from PubChem (CID 11231510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).