2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol

C21H19FO2S — CID 142018538

IUPAC2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol
SMILESCc1cc(C)c(Oc2ccc(O)c(Sc3ccc(F)cc3)c2)c(C)c1
InChIInChI=1S/C21H19FO2S/c1-13-10-14(2)21(15(3)11-13)24-17-6-9-19(23)20(12-17)25-18-7-4-16(22)5-8-18/h4-12,23H,1-3H3
InChIKeyFUKYQZSPIDSFDT-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.40
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol

2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol (PubChem CID 142018538) has the molecular formula C21H19FO2S and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol
PubChem CID142018538
Molecular FormulaC21H19FO2S
Molecular Weight354.45 g/mol
Exact Mass354.11
IUPAC Name2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol
SMILESCc1cc(C)c(Oc2ccc(O)c(Sc3ccc(F)cc3)c2)c(C)c1
InChIInChI=1S/C21H19FO2S/c1-13-10-14(2)21(15(3)11-13)24-17-6-9-19(23)20(12-17)25-18-7-4-16(22)5-8-18/h4-12,23H,1-3H3
InChIKeyFUKYQZSPIDSFDT-UHFFFAOYSA-N
XLogP6.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol
CID 141126761
2-(4-chlorophenyl)sulfanyl-4-methylphenol
CID 21411344
4-(4-fluorophenoxy)-3,5-dimethylaniline
CID 91671802
4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol
CID 25150421
4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol
CID 144504856
2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
CID 91665368
4-ethyl-2-(4-methylphenyl)sulfanylphenol
CID 22763953
2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol
CID 14899408
3-[4-[3-[(4-fluorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid
CID 70023305
4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol
CID 90980737
[4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol
CID 63813527
N,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide
CID 67649388

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol (CID 142018538) is 2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol is Cc1cc(C)c(Oc2ccc(O)c(Sc3ccc(F)cc3)c2)c(C)c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol?
The InChIKey is FUKYQZSPIDSFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FO2S/c1-13-10-14(2)21(15(3)11-13)24-17-6-9-19(23)20(12-17)25-18-7-4-16(22)5-8-18/h4-12,23H,1-3H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol?
2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol has a molecular weight of 354.45 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol is sourced from PubChem (CID 142018538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).