4-(2-benzylsulfanylethyl)phenol

C15H16OS — CID 160730782

IUPAC4-(2-benzylsulfanylethyl)phenol
SMILESOc1ccc(CCSCc2ccccc2)cc1
InChIInChI=1S/C15H16OS/c16-15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-9,16H,10-12H2
InChIKeyIKGHYRVDZJSBJY-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.87
Rot. Bonds5

About 4-(2-benzylsulfanylethyl)phenol

4-(2-benzylsulfanylethyl)phenol (PubChem CID 160730782) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-(2-benzylsulfanylethyl)phenol.

Molecular Properties

Compound Name4-(2-benzylsulfanylethyl)phenol
PubChem CID160730782
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name4-(2-benzylsulfanylethyl)phenol
SMILESOc1ccc(CCSCc2ccccc2)cc1
InChIInChI=1S/C15H16OS/c16-15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-9,16H,10-12H2
InChIKeyIKGHYRVDZJSBJY-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-benzylsulfanylethyl)phenol 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

4-(2-benzylsulfanylethyl)pyridine chloride
CID 5351696
3-benzylsulfanylpropylsulfanylmethylbenzene
CID 13214429
4-(3-phenylpropylsulfanylmethyl)benzoic acid
CID 82178239
2-(3-benzylsulfanylpropyl)phenol
CID 15322693
3-[3-(3-benzylsulfanylpropylsulfanyl)propylsulfanyl]propylsulfanylmethylbenzene
CID 15805005
4-(4-phenylbut-2-enyl)phenol
CID 66608492
2-fluoroethylsulfanylmethylbenzene
CID 15639805
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
4-(3-phenylprop-2-enylsulfanylmethyl)phenol
CID 67683497
CID 131886054
CID 131886054
ethane;4-(2-methylsulfanylethyl)phenol
CID 154657371
4-[(2-methylphenyl)methylsulfanylmethyl]phenol
CID 18959071

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzylsulfanylethyl)phenol?
The IUPAC name of 4-(2-benzylsulfanylethyl)phenol (CID 160730782) is 4-(2-benzylsulfanylethyl)phenol.
What is the SMILES notation for 4-(2-benzylsulfanylethyl)phenol?
The canonical SMILES for 4-(2-benzylsulfanylethyl)phenol is Oc1ccc(CCSCc2ccccc2)cc1.
What is the InChIKey of 4-(2-benzylsulfanylethyl)phenol?
The InChIKey is IKGHYRVDZJSBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c16-15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-9,16H,10-12H2.
What are the key properties of 4-(2-benzylsulfanylethyl)phenol?
4-(2-benzylsulfanylethyl)phenol has a molecular weight of 244.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzylsulfanylethyl)phenol is sourced from PubChem (CID 160730782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).