2-ethylsulfanyl-1-(4-phenylphenyl)ethanol

C16H18OS — CID 65455892

IUPAC2-ethylsulfanyl-1-(4-phenylphenyl)ethanol
SMILESCCSCC(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18OS/c1-2-18-12-16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16-17H,2,12H2,1H3
InChIKeyPVPHQQGRJQJUTQ-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.14
Rot. Bonds5

About 2-ethylsulfanyl-1-(4-phenylphenyl)ethanol

2-ethylsulfanyl-1-(4-phenylphenyl)ethanol (PubChem CID 65455892) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(4-phenylphenyl)ethanol.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(4-phenylphenyl)ethanol
PubChem CID65455892
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name2-ethylsulfanyl-1-(4-phenylphenyl)ethanol
SMILESCCSCC(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18OS/c1-2-18-12-16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16-17H,2,12H2,1H3
InChIKeyPVPHQQGRJQJUTQ-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfanyl-1-(4-phenylphenyl)ethanol
CID 15033009
3-methyl-1-(4-phenylphenyl)pentan-1-ol
CID 65148669
2-bromo-1-(4-phenylphenyl)ethanol
CID 13479157
(1S)-2-bromo-1-(4-phenylphenyl)ethanol
CID 13479158
3-ethylsulfanyl-1-phenylpropan-1-ol
CID 12525073
2-(dipropylamino)-1-(4-phenylphenyl)ethanol
CID 82215884
1-(3,5-dimethylphenyl)-2-ethylsulfanylethanol
CID 65130803
2-ethyl-1-(4-phenylphenyl)butan-1-ol
CID 63425864
2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol
CID 19026831
4-(4-phenylphenyl)hexan-3-ol
CID 175539403
1-(4-ethylphenyl)-2-phenylsulfanylethanol
CID 4786904
(1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol
CID 2479408

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(4-phenylphenyl)ethanol?
The IUPAC name of 2-ethylsulfanyl-1-(4-phenylphenyl)ethanol (CID 65455892) is 2-ethylsulfanyl-1-(4-phenylphenyl)ethanol.
What is the SMILES notation for 2-ethylsulfanyl-1-(4-phenylphenyl)ethanol?
The canonical SMILES for 2-ethylsulfanyl-1-(4-phenylphenyl)ethanol is CCSCC(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-ethylsulfanyl-1-(4-phenylphenyl)ethanol?
The InChIKey is PVPHQQGRJQJUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-2-18-12-16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16-17H,2,12H2,1H3.
What are the key properties of 2-ethylsulfanyl-1-(4-phenylphenyl)ethanol?
2-ethylsulfanyl-1-(4-phenylphenyl)ethanol has a molecular weight of 258.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(4-phenylphenyl)ethanol is sourced from PubChem (CID 65455892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).