2-(4-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanol

C18H22O2S — CID 104659613

IUPAC2-(4-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanol
SMILESCCCOc1ccccc1C(O)CSc1ccc(C)cc1
InChIInChI=1S/C18H22O2S/c1-3-12-20-18-7-5-4-6-16(18)17(19)13-21-15-10-8-14(2)9-11-15/h4-11,17,19H,3,12-13H2,1-2H3
InChIKeyCRDAZJGXQXUXJW-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.61
Rot. Bonds7

About 2-(4-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanol

2-(4-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanol (PubChem CID 104659613) has the molecular formula C18H22O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanol
PubChem CID104659613
Molecular FormulaC18H22O2S
Molecular Weight302.44 g/mol
Exact Mass302.13
IUPAC Name2-(4-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanol
SMILESCCCOc1ccccc1C(O)CSc1ccc(C)cc1
InChIInChI=1S/C18H22O2S/c1-3-12-20-18-7-5-4-6-16(18)17(19)13-21-15-10-8-14(2)9-11-15/h4-11,17,19H,3,12-13H2,1-2H3
InChIKeyCRDAZJGXQXUXJW-UHFFFAOYSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-1-(2-propoxyphenyl)ethanol
CID 104659511
1-(2-propoxyphenyl)ethanol
CID 43503976
1-(2-propoxyphenyl)heptan-1-ol
CID 113438141
2-methoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659647
1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
CID 115996062
1-(2-ethoxyphenyl)-2-propylsulfanylethanol
CID 65129597
1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66051325
(1S)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242449
1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol
CID 66064203
(1R)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242447
2-ethoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659557
(4-iodophenyl)-(2-propoxyphenyl)methanol
CID 115833070

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanol?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanol (CID 104659613) is 2-(4-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanol?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanol is CCCOc1ccccc1C(O)CSc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanol?
The InChIKey is CRDAZJGXQXUXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2S/c1-3-12-20-18-7-5-4-6-16(18)17(19)13-21-15-10-8-14(2)9-11-15/h4-11,17,19H,3,12-13H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanol?
2-(4-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanol has a molecular weight of 302.44 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanol is sourced from PubChem (CID 104659613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).