4-(3-phenylprop-2-enylsulfanylmethyl)phenol

C16H16OS — CID 67683497

IUPAC4-(3-phenylprop-2-enylsulfanylmethyl)phenol
SMILESOc1ccc(CSCC=Cc2ccccc2)cc1
InChIInChI=1S/C16H16OS/c17-16-10-8-15(9-11-16)13-18-12-4-7-14-5-2-1-3-6-14/h1-11,17H,12-13H2
InChIKeyUTUKCVYSTUIVLJ-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.34
Rot. Bonds5

About 4-(3-phenylprop-2-enylsulfanylmethyl)phenol

4-(3-phenylprop-2-enylsulfanylmethyl)phenol (PubChem CID 67683497) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-(3-phenylprop-2-enylsulfanylmethyl)phenol.

Molecular Properties

Compound Name4-(3-phenylprop-2-enylsulfanylmethyl)phenol
PubChem CID67683497
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name4-(3-phenylprop-2-enylsulfanylmethyl)phenol
SMILESOc1ccc(CSCC=Cc2ccccc2)cc1
InChIInChI=1S/C16H16OS/c17-16-10-8-15(9-11-16)13-18-12-4-7-14-5-2-1-3-6-14/h1-11,17H,12-13H2
InChIKeyUTUKCVYSTUIVLJ-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzylsulfanylprop-1-enylbenzene
CID 71388292
2-[(E)-3-phenylprop-2-enyl]sulfanylacetic acid
CID 23172742
[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 5370626
[(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene
CID 15189428
4-(2-benzylsulfanylethyl)phenol
CID 160730782
4-(2-phenylethenyl)phenol
CID 157400568
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol
CID 75534520
4-(4-phenylbut-2-enyl)phenol
CID 66608492
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
1-fluoro-4-[(3-phenylprop-2-enyltrisulfanyl)methyl]benzene
CID 74936953
3-(disulfanyl)prop-1-enylbenzene
CID 173164677

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylprop-2-enylsulfanylmethyl)phenol?
The IUPAC name of 4-(3-phenylprop-2-enylsulfanylmethyl)phenol (CID 67683497) is 4-(3-phenylprop-2-enylsulfanylmethyl)phenol.
What is the SMILES notation for 4-(3-phenylprop-2-enylsulfanylmethyl)phenol?
The canonical SMILES for 4-(3-phenylprop-2-enylsulfanylmethyl)phenol is Oc1ccc(CSCC=Cc2ccccc2)cc1.
What is the InChIKey of 4-(3-phenylprop-2-enylsulfanylmethyl)phenol?
The InChIKey is UTUKCVYSTUIVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS/c17-16-10-8-15(9-11-16)13-18-12-4-7-14-5-2-1-3-6-14/h1-11,17H,12-13H2.
What are the key properties of 4-(3-phenylprop-2-enylsulfanylmethyl)phenol?
4-(3-phenylprop-2-enylsulfanylmethyl)phenol has a molecular weight of 256.37 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylprop-2-enylsulfanylmethyl)phenol is sourced from PubChem (CID 67683497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).