2-(2-phenylethylsulfanyl)phenol

C14H14OS — CID 10823369

IUPAC2-(2-phenylethylsulfanyl)phenol
SMILESOc1ccccc1SCCc1ccccc1
InChIInChI=1S/C14H14OS/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKeyRPJQUUBDPRRAIM-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.73
Rot. Bonds4

About 2-(2-phenylethylsulfanyl)phenol

2-(2-phenylethylsulfanyl)phenol (PubChem CID 10823369) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-(2-phenylethylsulfanyl)phenol.

Molecular Properties

Compound Name2-(2-phenylethylsulfanyl)phenol
PubChem CID10823369
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name2-(2-phenylethylsulfanyl)phenol
SMILESOc1ccccc1SCCc1ccccc1
InChIInChI=1S/C14H14OS/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKeyRPJQUUBDPRRAIM-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-(2-phenylethylsulfanyl)benzene
CID 59416597
2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol
CID 103721509
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol
CID 65445169
2-[2-(4-chlorophenyl)ethylsulfanyl]aniline
CID 101473757
2-(4-aminobutylsulfanyl)phenol
CID 84667847
2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium
CID 123192052
2-tetracosylsulfanylphenol
CID 139712021
2-(difluoromethylsulfanyl)ethylbenzene
CID 155555822
1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene
CID 162413618
2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]phenol
CID 62000695
N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide
CID 62000119
N,N-dimethyl-5-(2-phenylethylsulfanyl)naphthalen-1-amine
CID 175319076

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylsulfanyl)phenol?
The IUPAC name of 2-(2-phenylethylsulfanyl)phenol (CID 10823369) is 2-(2-phenylethylsulfanyl)phenol.
What is the SMILES notation for 2-(2-phenylethylsulfanyl)phenol?
The canonical SMILES for 2-(2-phenylethylsulfanyl)phenol is Oc1ccccc1SCCc1ccccc1.
What is the InChIKey of 2-(2-phenylethylsulfanyl)phenol?
The InChIKey is RPJQUUBDPRRAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2.
What are the key properties of 2-(2-phenylethylsulfanyl)phenol?
2-(2-phenylethylsulfanyl)phenol has a molecular weight of 230.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylsulfanyl)phenol is sourced from PubChem (CID 10823369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).