(E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol

C13H18OS — CID 46177703

IUPAC(E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol
SMILESCCC/C=C(\CO)Sc1ccc(C)cc1
InChIInChI=1S/C13H18OS/c1-3-4-5-13(10-14)15-12-8-6-11(2)7-9-12/h5-9,14H,3-4,10H2,1-2H3/b13-5+
InChIKeyVEALCQJGSIIXPW-WLRTZDKTSA-N
MW222.35 g/mol
LogP3.76
Rot. Bonds5

About (E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol

(E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol (PubChem CID 46177703) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is (E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol
PubChem CID46177703
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name(E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol
SMILESCCC/C=C(\CO)Sc1ccc(C)cc1
InChIInChI=1S/C13H18OS/c1-3-4-5-13(10-14)15-12-8-6-11(2)7-9-12/h5-9,14H,3-4,10H2,1-2H3/b13-5+
InChIKeyVEALCQJGSIIXPW-WLRTZDKTSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene
CID 71401794
1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene
CID 134934599
(E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol
CID 46177626
(2Z)-2-[chloro-(4-methylphenyl)sulfanylmethylidene]but-3-en-1-ol
CID 101393915
[(E)-non-4-en-4-yl]sulfanylbenzene
CID 177448686
1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiol
CID 76564021
ethanol;methanol;1,4-xylene
CID 70196397
4-(4-methylphenyl)sulfanylbut-2-en-1-ol
CID 131876387
O-ethyl (4-methylphenyl)sulfanylmethanethioate
CID 15256931
[(Z)-nonadec-9-en-9-yl]sulfanylbenzene
CID 100973714
[(E)-tridec-6-en-6-yl]sulfanylbenzene
CID 102371655
1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole
CID 53242920

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol?
The IUPAC name of (E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol (CID 46177703) is (E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol.
What is the SMILES notation for (E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol?
The canonical SMILES for (E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol is CCC/C=C(\CO)Sc1ccc(C)cc1.
What is the InChIKey of (E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol?
The InChIKey is VEALCQJGSIIXPW-WLRTZDKTSA-N. The full InChI is InChI=1S/C13H18OS/c1-3-4-5-13(10-14)15-12-8-6-11(2)7-9-12/h5-9,14H,3-4,10H2,1-2H3/b13-5+.
What are the key properties of (E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol?
(E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol has a molecular weight of 222.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol is sourced from PubChem (CID 46177703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).