(Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol

C12H15BrOS — CID 11173710

IUPAC(Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol
SMILESCC(C)C(O)/C(Br)=C/Sc1ccccc1
InChIInChI=1S/C12H15BrOS/c1-9(2)12(14)11(13)8-15-10-6-4-3-5-7-10/h3-9,12,14H,1-2H3/b11-8-
InChIKeyZRQNRXOMNMOECD-FLIBITNWSA-N
MW287.22 g/mol
LogP4.03
Rot. Bonds4

About (Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol

(Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol (PubChem CID 11173710) has the molecular formula C12H15BrOS and a molecular weight of 287.22 g/mol. Its IUPAC name is (Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol
PubChem CID11173710
Molecular FormulaC12H15BrOS
Molecular Weight287.22 g/mol
Exact Mass286.00
IUPAC Name(Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol
SMILESCC(C)C(O)/C(Br)=C/Sc1ccccc1
InChIInChI=1S/C12H15BrOS/c1-9(2)12(14)11(13)8-15-10-6-4-3-5-7-10/h3-9,12,14H,1-2H3/b11-8-
InChIKeyZRQNRXOMNMOECD-FLIBITNWSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[(Z)-4,4-diethoxy-2-methylsulfanylbut-1-enyl]sulfanylbenzene
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(4,4-diethoxy-1-phenylsulfanylbut-1-en-2-yl)sulfanylbenzene
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Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol?
The IUPAC name of (Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol (CID 11173710) is (Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol.
What is the SMILES notation for (Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol?
The canonical SMILES for (Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol is CC(C)C(O)/C(Br)=C/Sc1ccccc1.
What is the InChIKey of (Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol?
The InChIKey is ZRQNRXOMNMOECD-FLIBITNWSA-N. The full InChI is InChI=1S/C12H15BrOS/c1-9(2)12(14)11(13)8-15-10-6-4-3-5-7-10/h3-9,12,14H,1-2H3/b11-8-.
What are the key properties of (Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol?
(Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol has a molecular weight of 287.22 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol is sourced from PubChem (CID 11173710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).