2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol

C25H28O4S2 — CID 11408463

IUPAC2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol
SMILESCOc1ccc(C(OCCSSCCO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28O4S2/c1-27-23-12-8-21(9-13-23)25(20-6-4-3-5-7-20,29-17-19-31-30-18-16-26)22-10-14-24(28-2)15-11-22/h3-15,26H,16-19H2,1-2H3
InChIKeyUUAIRESVAHNJJH-UHFFFAOYSA-N
MW456.63 g/mol
LogP5.39
Rot. Bonds12

About 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol

2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol (PubChem CID 11408463) has the molecular formula C25H28O4S2 and a molecular weight of 456.63 g/mol. Its IUPAC name is 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol
PubChem CID11408463
Molecular FormulaC25H28O4S2
Molecular Weight456.63 g/mol
Exact Mass456.14
IUPAC Name2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol
SMILESCOc1ccc(C(OCCSSCCO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28O4S2/c1-27-23-12-8-21(9-13-23)25(20-6-4-3-5-7-20,29-17-19-31-30-18-16-26)22-10-14-24(28-2)15-11-22/h3-15,26H,16-19H2,1-2H3
InChIKeyUUAIRESVAHNJJH-UHFFFAOYSA-N
XLogP5.39
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526
2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol
CID 69286303
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
CID 67864554
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149
3-[[di(propan-2-yl)amino]-[2-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyldisulfanyl]ethoxy]phosphanyl]oxypropanenitrile
CID 166138054
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 54065876
[4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol
CID 68665796
4-[2-[3-[3-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]propyldisulfanyl]propoxy]ethoxy]-4-oxobutanoic acid
CID 53340297
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
CID 159570808

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol?
The IUPAC name of 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol (CID 11408463) is 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol.
What is the SMILES notation for 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol?
The canonical SMILES for 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol is COc1ccc(C(OCCSSCCO)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol?
The InChIKey is UUAIRESVAHNJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O4S2/c1-27-23-12-8-21(9-13-23)25(20-6-4-3-5-7-20,29-17-19-31-30-18-16-26)22-10-14-24(28-2)15-11-22/h3-15,26H,16-19H2,1-2H3.
What are the key properties of 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol?
2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol has a molecular weight of 456.63 g/mol, XLogP of 5.39, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol is sourced from PubChem (CID 11408463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).