(E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol

C12H16OS — CID 5363740

IUPAC(E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol
SMILESCS/C=C/CC(C)(O)c1ccccc1
InChIInChI=1S/C12H16OS/c1-12(13,9-6-10-14-2)11-7-4-3-5-8-11/h3-8,10,13H,9H2,1-2H3/b10-6+
InChIKeySYJRSBDFMSNYFD-UXBLZVDNSA-N
MW208.33 g/mol
LogP3.16
Rot. Bonds4

About (E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol

(E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol (PubChem CID 5363740) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is (E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol.

Molecular Properties

Compound Name(E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol
PubChem CID5363740
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name(E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol
SMILESCS/C=C/CC(C)(O)c1ccccc1
InChIInChI=1S/C12H16OS/c1-12(13,9-6-10-14-2)11-7-4-3-5-8-11/h3-8,10,13H,9H2,1-2H3/b10-6+
InChIKeySYJRSBDFMSNYFD-UXBLZVDNSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-methyl-5-methylsulfanyl-2-phenylpent-4-en-2-ol
CID 5363668
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
ethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate
CID 11999994
(Z)-2-methyl-5-phenylhex-2-ene-1,5-diol
CID 101161095
3-methylsulfanylprop-2-enylbenzene
CID 70387625
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
(2S)-2-phenyl-1-phenylsulfanylpropan-2-ol
CID 138965294
4,4-bis(methylsulfanyl)-2-phenylbut-3-en-2-ol
CID 13465706
(E)-1-phenyl-1-trimethylsilylpent-3-en-1-ol
CID 101050271
4,4,4-trifluoro-2-phenylbutan-2-ol
CID 102471164
[(E)-1,1-bis(methylsulfanyl)pent-3-enyl]benzene
CID 134919659
1-[5-(2-hydroxy-2-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylpropan-2-ol
CID 10618124

Frequently Asked Questions

What is the IUPAC name of (E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol?
The IUPAC name of (E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol (CID 5363740) is (E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol.
What is the SMILES notation for (E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol?
The canonical SMILES for (E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol is CS/C=C/CC(C)(O)c1ccccc1.
What is the InChIKey of (E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol?
The InChIKey is SYJRSBDFMSNYFD-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H16OS/c1-12(13,9-6-10-14-2)11-7-4-3-5-8-11/h3-8,10,13H,9H2,1-2H3/b10-6+.
What are the key properties of (E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol?
(E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol has a molecular weight of 208.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol is sourced from PubChem (CID 5363740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).