4-(4-hydroxyphenyl)sulfanyl-2-[1-(4-methoxyphenyl)ethyl]-6-methylphenol

C22H22O3S — CID 118264498

IUPAC4-(4-hydroxyphenyl)sulfanyl-2-[1-(4-methoxyphenyl)ethyl]-6-methylphenol
SMILESCOc1ccc(C(C)c2cc(Sc3ccc(O)cc3)cc(C)c2O)cc1
InChIInChI=1S/C22H22O3S/c1-14-12-20(26-19-10-6-17(23)7-11-19)13-21(22(14)24)15(2)16-4-8-18(25-3)9-5-16/h4-13,15,23-24H,1-3H3
InChIKeyUHODUKIGLWQNMF-UHFFFAOYSA-N
MW366.48 g/mol
LogP5.72
Rot. Bonds5

About 4-(4-hydroxyphenyl)sulfanyl-2-[1-(4-methoxyphenyl)ethyl]-6-methylphenol

4-(4-hydroxyphenyl)sulfanyl-2-[1-(4-methoxyphenyl)ethyl]-6-methylphenol (PubChem CID 118264498) has the molecular formula C22H22O3S and a molecular weight of 366.48 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfanyl-2-[1-(4-methoxyphenyl)ethyl]-6-methylphenol.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfanyl-2-[1-(4-methoxyphenyl)ethyl]-6-methylphenol
PubChem CID118264498
Molecular FormulaC22H22O3S
Molecular Weight366.48 g/mol
Exact Mass366.13
IUPAC Name4-(4-hydroxyphenyl)sulfanyl-2-[1-(4-methoxyphenyl)ethyl]-6-methylphenol
SMILESCOc1ccc(C(C)c2cc(Sc3ccc(O)cc3)cc(C)c2O)cc1
InChIInChI=1S/C22H22O3S/c1-14-12-20(26-19-10-6-17(23)7-11-19)13-21(22(14)24)15(2)16-4-8-18(25-3)9-5-16/h4-13,15,23-24H,1-3H3
InChIKeyUHODUKIGLWQNMF-UHFFFAOYSA-N
XLogP5.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.48
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydroxyphenyl)sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol
CID 118264503
4-[3-ethyl-4-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol
CID 118264468
2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol
CID 91879746
1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
CID 176734451
3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol
CID 91408828
4-(4-propan-2-yloxyphenyl)sulfanylphenol
CID 134238936
4-(4-methoxyphenyl)sulfanyl-2-methylaniline
CID 43436441
methane;4-methoxyphenol
CID 159494332
4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol
CID 161479517
ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate
CID 129382572
2-[1-[4-[4-[4-[4-[1-(2-amino-4-methylphenyl)ethyl]phenyl]sulfanylphenoxy]phenyl]sulfanylphenyl]ethyl]-5-methylaniline
CID 139795140
2-[4-(4-methoxyphenyl)sulfanyl-2-methylphenyl]acetic acid
CID 91878952

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-2-[1-(4-methoxyphenyl)ethyl]-6-methylphenol?
The IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-2-[1-(4-methoxyphenyl)ethyl]-6-methylphenol (CID 118264498) is 4-(4-hydroxyphenyl)sulfanyl-2-[1-(4-methoxyphenyl)ethyl]-6-methylphenol.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfanyl-2-[1-(4-methoxyphenyl)ethyl]-6-methylphenol?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfanyl-2-[1-(4-methoxyphenyl)ethyl]-6-methylphenol is COc1ccc(C(C)c2cc(Sc3ccc(O)cc3)cc(C)c2O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfanyl-2-[1-(4-methoxyphenyl)ethyl]-6-methylphenol?
The InChIKey is UHODUKIGLWQNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3S/c1-14-12-20(26-19-10-6-17(23)7-11-19)13-21(22(14)24)15(2)16-4-8-18(25-3)9-5-16/h4-13,15,23-24H,1-3H3.
What are the key properties of 4-(4-hydroxyphenyl)sulfanyl-2-[1-(4-methoxyphenyl)ethyl]-6-methylphenol?
4-(4-hydroxyphenyl)sulfanyl-2-[1-(4-methoxyphenyl)ethyl]-6-methylphenol has a molecular weight of 366.48 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfanyl-2-[1-(4-methoxyphenyl)ethyl]-6-methylphenol is sourced from PubChem (CID 118264498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).