2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol

C28H26O4S — CID 86027705

IUPAC2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol
SMILESOCCOc1ccc(-c2ccccc2)cc1Sc1cc(-c2ccccc2)ccc1OCCO
InChIInChI=1S/C28H26O4S/c29-15-17-31-25-13-11-23(21-7-3-1-4-8-21)19-27(25)33-28-20-24(22-9-5-2-6-10-22)12-14-26(28)32-18-16-30/h1-14,19-20,29-30H,15-18H2
InChIKeyRRVNSBHCMGVJHB-UHFFFAOYSA-N
MW458.58 g/mol
LogP5.91
Rot. Bonds10

About 2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol

2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol (PubChem CID 86027705) has the molecular formula C28H26O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol
PubChem CID86027705
Molecular FormulaC28H26O4S
Molecular Weight458.58 g/mol
Exact Mass458.16
IUPAC Name2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol
SMILESOCCOc1ccc(-c2ccccc2)cc1Sc1cc(-c2ccccc2)ccc1OCCO
InChIInChI=1S/C28H26O4S/c29-15-17-31-25-13-11-23(21-7-3-1-4-8-21)19-27(25)33-28-20-24(22-9-5-2-6-10-22)12-14-26(28)32-18-16-30/h1-14,19-20,29-30H,15-18H2
InChIKeyRRVNSBHCMGVJHB-UHFFFAOYSA-N
XLogP5.91
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-fluorophenyl)sulfanyl-4-phenylphenoxy]ethanol
CID 69006550
2-[1-[2-(2-hydroxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethanol;2-[1-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethanol
CID 163740877
2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
CID 155660366
2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol
CID 175765558
2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol
CID 142536418
[2-(2-hydroxyethoxy)-5-(4-phenylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134200774
5-phenyl-2-phenylmethoxyphenol
CID 11994792
2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol
CID 67511777
bicyclo[2.2.0]hexa-1,3,5-triene;2-(disulfanyloxy)ethanol
CID 174982090
2-[2-methoxy-4-(4-methoxyphenyl)phenoxy]ethanol
CID 145389562
3,6-bis(2-hydroxyethoxy)benzene-1,2-diol
CID 18513327
1-(3-chloropropoxy)-2-methoxy-4-phenylbenzene
CID 173335600

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol (CID 86027705) is 2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol is OCCOc1ccc(-c2ccccc2)cc1Sc1cc(-c2ccccc2)ccc1OCCO.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol?
The InChIKey is RRVNSBHCMGVJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O4S/c29-15-17-31-25-13-11-23(21-7-3-1-4-8-21)19-27(25)33-28-20-24(22-9-5-2-6-10-22)12-14-26(28)32-18-16-30/h1-14,19-20,29-30H,15-18H2.
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol?
2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol has a molecular weight of 458.58 g/mol, XLogP of 5.91, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol is sourced from PubChem (CID 86027705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).