2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol

C21H28O4S2 — CID 167002570

IUPAC2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol
SMILESCC(C)(CSc1ccc(OCCO)cc1)CSc1ccc(OCCO)cc1
InChIInChI=1S/C21H28O4S2/c1-21(2,15-26-19-7-3-17(4-8-19)24-13-11-22)16-27-20-9-5-18(6-10-20)25-14-12-23/h3-10,22-23H,11-16H2,1-2H3
InChIKeyNMXBCCAVDFDFAS-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.34
Rot. Bonds12

About 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol

2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol (PubChem CID 167002570) has the molecular formula C21H28O4S2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol
PubChem CID167002570
Molecular FormulaC21H28O4S2
Molecular Weight408.59 g/mol
Exact Mass408.14
IUPAC Name2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol
SMILESCC(C)(CSc1ccc(OCCO)cc1)CSc1ccc(OCCO)cc1
InChIInChI=1S/C21H28O4S2/c1-21(2,15-26-19-7-3-17(4-8-19)24-13-11-22)16-27-20-9-5-18(6-10-20)25-14-12-23/h3-10,22-23H,11-16H2,1-2H3
InChIKeyNMXBCCAVDFDFAS-UHFFFAOYSA-N
XLogP4.34
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 162335780
CID 162335780
2-[4-[2-[(4-propoxyphenyl)sulfanylmethyl]prop-2-enylsulfanyl]phenoxy]ethanol
CID 165010851
2-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-ol
CID 117300551
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol
CID 20544404
4-[2-(4-tert-butylphenyl)sulfanylethoxy]aniline
CID 43366413
2-[4-(1-aminopropan-2-yl)phenoxy]ethanol
CID 117285604
[4-(2-hydroxyethoxy)phenyl]-oxosulfanium
CID 175309194
3-(4-ethoxyphenyl)sulfanyl-2,2-dimethylpropanoic acid
CID 116853029
2,6-dihydroxy-3,5-bis[4-(2-hydroxyethoxy)phenyl]-2,6-dimethylheptan-4-one
CID 54106076
2-[2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 15607829
2-(4-dimethylboranylphenoxy)ethanol
CID 58852404
ethane;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol;hydrate
CID 144516438

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol?
The IUPAC name of 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol (CID 167002570) is 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol.
What is the SMILES notation for 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol?
The canonical SMILES for 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol is CC(C)(CSc1ccc(OCCO)cc1)CSc1ccc(OCCO)cc1.
What is the InChIKey of 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol?
The InChIKey is NMXBCCAVDFDFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O4S2/c1-21(2,15-26-19-7-3-17(4-8-19)24-13-11-22)16-27-20-9-5-18(6-10-20)25-14-12-23/h3-10,22-23H,11-16H2,1-2H3.
What are the key properties of 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol?
2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol has a molecular weight of 408.59 g/mol, XLogP of 4.34, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol is sourced from PubChem (CID 167002570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).