1-(4-ethylphenyl)-2-phenylsulfanylethanol

C16H18OS — CID 4786904

IUPAC1-(4-ethylphenyl)-2-phenylsulfanylethanol
SMILESCCc1ccc(C(O)CSc2ccccc2)cc1
InChIInChI=1S/C16H18OS/c1-2-13-8-10-14(11-9-13)16(17)12-18-15-6-4-3-5-7-15/h3-11,16-17H,2,12H2,1H3
InChIKeyYNPJKFWXISFGDW-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.07
Rot. Bonds5

About 1-(4-ethylphenyl)-2-phenylsulfanylethanol

1-(4-ethylphenyl)-2-phenylsulfanylethanol (PubChem CID 4786904) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-phenylsulfanylethanol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-phenylsulfanylethanol
PubChem CID4786904
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name1-(4-ethylphenyl)-2-phenylsulfanylethanol
SMILESCCc1ccc(C(O)CSc2ccccc2)cc1
InChIInChI=1S/C16H18OS/c1-2-13-8-10-14(11-9-13)16(17)12-18-15-6-4-3-5-7-15/h3-11,16-17H,2,12H2,1H3
InChIKeyYNPJKFWXISFGDW-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol
CID 60981441
1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol
CID 65141825
[1-(4-ethylphenyl)-2-phenylsulfanylethyl]hydrazine
CID 105228219
1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol
CID 65132157
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanol
CID 65142018
2-(4-aminophenyl)sulfanyl-1-phenylethanol
CID 51062435
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576
(1R)-1-(4-ethylphenyl)butan-1-ol
CID 39237012
2-amino-3-(4-ethylphenyl)sulfanylpropanoic acid
CID 117034707
2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol
CID 62917385
1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol
CID 61088685
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-phenylsulfanylethanol?
The IUPAC name of 1-(4-ethylphenyl)-2-phenylsulfanylethanol (CID 4786904) is 1-(4-ethylphenyl)-2-phenylsulfanylethanol.
What is the SMILES notation for 1-(4-ethylphenyl)-2-phenylsulfanylethanol?
The canonical SMILES for 1-(4-ethylphenyl)-2-phenylsulfanylethanol is CCc1ccc(C(O)CSc2ccccc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-phenylsulfanylethanol?
The InChIKey is YNPJKFWXISFGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-2-13-8-10-14(11-9-13)16(17)12-18-15-6-4-3-5-7-15/h3-11,16-17H,2,12H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-2-phenylsulfanylethanol?
1-(4-ethylphenyl)-2-phenylsulfanylethanol has a molecular weight of 258.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-phenylsulfanylethanol is sourced from PubChem (CID 4786904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).