2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile

C15H17NOS — CID 123358770

IUPAC2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile
SMILESC=C(CC)C(C)=C(SC)c1ccc(C#N)c(O)c1
InChIInChI=1S/C15H17NOS/c1-5-10(2)11(3)15(18-4)12-6-7-13(9-16)14(17)8-12/h6-8,17H,2,5H2,1,3-4H3
InChIKeyJDRPTYASDAQYIS-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.32
Rot. Bonds4

About 2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile

2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile (PubChem CID 123358770) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile.

Molecular Properties

Compound Name2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile
PubChem CID123358770
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile
SMILESC=C(CC)C(C)=C(SC)c1ccc(C#N)c(O)c1
InChIInChI=1S/C15H17NOS/c1-5-10(2)11(3)15(18-4)12-6-7-13(9-16)14(17)8-12/h6-8,17H,2,5H2,1,3-4H3
InChIKeyJDRPTYASDAQYIS-UHFFFAOYSA-N
XLogP4.32
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-4-prop-1-en-2-ylbenzonitrile
CID 177195315
2,4-dihydroxybenzonitrile
CID 3017520
2-hydroxy-4-(2-phenylethenyl)benzonitrile
CID 90919565
2-hydroxy-4-phenylbenzonitrile
CID 23148964
2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile
CID 130411265
5-acetyl-4-ethyl-2-hydroxybenzonitrile
CID 131349259
azane;4-bromo-2-hydroxybenzonitrile
CID 135147435
5-hydroxy-2-(2-methylprop-2-enyl)benzonitrile
CID 67896765
5-but-1-en-2-yl-2,4-dimethylbenzonitrile
CID 134513277
(4-cyano-3-hydroxyphenyl)-trifluoroboranuide
CID 165488033
4-(4-cyanophenyl)-2-hydroxybenzonitrile
CID 53219846
S-[3-(2-cyano-5-fluorophenyl)prop-2-enyl] ethanethioate
CID 169457220

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile?
The IUPAC name of 2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile (CID 123358770) is 2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile.
What is the SMILES notation for 2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile?
The canonical SMILES for 2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile is C=C(CC)C(C)=C(SC)c1ccc(C#N)c(O)c1.
What is the InChIKey of 2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile?
The InChIKey is JDRPTYASDAQYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-5-10(2)11(3)15(18-4)12-6-7-13(9-16)14(17)8-12/h6-8,17H,2,5H2,1,3-4H3.
What are the key properties of 2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile?
2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile has a molecular weight of 259.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(2-methyl-3-methylidene-1-methylsulfanylpent-1-enyl)benzonitrile is sourced from PubChem (CID 123358770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).