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

C13H18OS — CID 5363668

IUPAC(E)-4-methyl-5-methylsulfanyl-2-phenylpent-4-en-2-ol
SMILESCS/C=C(\C)CC(C)(O)c1ccccc1
InChIInChI=1S/C13H18OS/c1-11(10-15-3)9-13(2,14)12-7-5-4-6-8-12/h4-8,10,14H,9H2,1-3H3/b11-10+
InChIKeyMLAMIGMYUPNDBM-ZHACJKMWSA-N
MW222.35 g/mol
LogP3.55
Rot. Bonds4

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

(E)-4-methyl-5-methylsulfanyl-2-phenylpent-4-en-2-ol (PubChem CID 5363668) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is (E)-4-methyl-5-methylsulfanyl-2-phenylpent-4-en-2-ol.

Molecular Properties

Compound Name(E)-4-methyl-5-methylsulfanyl-2-phenylpent-4-en-2-ol
PubChem CID5363668
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name(E)-4-methyl-5-methylsulfanyl-2-phenylpent-4-en-2-ol
SMILESCS/C=C(\C)CC(C)(O)c1ccccc1
InChIInChI=1S/C13H18OS/c1-11(10-15-3)9-13(2,14)12-7-5-4-6-8-12/h4-8,10,14H,9H2,1-3H3/b11-10+
InChIKeyMLAMIGMYUPNDBM-ZHACJKMWSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-3-methyl-5-phenylhex-2-ene-1,5-diol
CID 10856650
(E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol
CID 5363740
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
2-phenyl-4-trimethylstannylpent-4-en-2-ol
CID 14290604
(Z)-2-methyl-5-phenylhex-2-ene-1,5-diol
CID 101161095
1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol
CID 115638973
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
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-phenylpropan-2-ol
CID 114338665
1-(3-hydroxypropylsulfanyl)-2-phenylpropan-2-ol
CID 66128083
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-5-methylsulfanyl-2-phenylpent-4-en-2-ol?
The IUPAC name of (E)-4-methyl-5-methylsulfanyl-2-phenylpent-4-en-2-ol (CID 5363668) is (E)-4-methyl-5-methylsulfanyl-2-phenylpent-4-en-2-ol.
What is the SMILES notation for (E)-4-methyl-5-methylsulfanyl-2-phenylpent-4-en-2-ol?
The canonical SMILES for (E)-4-methyl-5-methylsulfanyl-2-phenylpent-4-en-2-ol is CS/C=C(\C)CC(C)(O)c1ccccc1.
What is the InChIKey of (E)-4-methyl-5-methylsulfanyl-2-phenylpent-4-en-2-ol?
The InChIKey is MLAMIGMYUPNDBM-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H18OS/c1-11(10-15-3)9-13(2,14)12-7-5-4-6-8-12/h4-8,10,14H,9H2,1-3H3/b11-10+.
What are the key properties of (E)-4-methyl-5-methylsulfanyl-2-phenylpent-4-en-2-ol?
(E)-4-methyl-5-methylsulfanyl-2-phenylpent-4-en-2-ol has a molecular weight of 222.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-5-methylsulfanyl-2-phenylpent-4-en-2-ol is sourced from PubChem (CID 5363668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).