[2-[2-[5,5-bis(phenylmethoxy)pentoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene

C42H46O4S — CID 58664656

IUPAC[2-[2-[5,5-bis(phenylmethoxy)pentoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene
SMILESc1ccc(COC(CCCCOCCOCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C42H46O4S/c1-6-18-36(19-7-1)34-45-41(46-35-37-20-8-2-9-21-37)28-16-17-29-43-30-31-44-32-33-47-42(38-22-10-3-11-23-38,39-24-12-4-13-25-39)40-26-14-5-15-27-40/h1-15,18-27,41H,16-17,28-35H2
InChIKeyHBPIDPZWRYUHDJ-UHFFFAOYSA-N
MW646.89 g/mol
LogP9.67
Rot. Bonds21

About [2-[2-[5,5-bis(phenylmethoxy)pentoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene

[2-[2-[5,5-bis(phenylmethoxy)pentoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene (PubChem CID 58664656) has the molecular formula C42H46O4S and a molecular weight of 646.89 g/mol. Its IUPAC name is [2-[2-[5,5-bis(phenylmethoxy)pentoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene.

Molecular Properties

Compound Name[2-[2-[5,5-bis(phenylmethoxy)pentoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene
PubChem CID58664656
Molecular FormulaC42H46O4S
Molecular Weight646.89 g/mol
Exact Mass646.31
IUPAC Name[2-[2-[5,5-bis(phenylmethoxy)pentoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene
SMILESc1ccc(COC(CCCCOCCOCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C42H46O4S/c1-6-18-36(19-7-1)34-45-41(46-35-37-20-8-2-9-21-37)28-16-17-29-43-30-31-44-32-33-47-42(38-22-10-3-11-23-38,39-24-12-4-13-25-39)40-26-14-5-15-27-40/h1-15,18-27,41H,16-17,28-35H2
InChIKeyHBPIDPZWRYUHDJ-UHFFFAOYSA-N
XLogP9.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.89
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[2-[5,5-bis(phenylmethoxy)pentoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene 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

[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene
CID 138491924
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
(3R)-3,7-bis(phenylmethoxy)heptan-1-ol
CID 135025227
2-[2-[2-[2-[2-[2-(11-tritylsulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 86759933
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
2-(hydroxymethyl)-2-(4-phenylmethoxybutoxymethyl)propane-1,3-diol
CID 131987442
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
[(2-ethoxy-3-hexadecoxypropyl)sulfanyl-diphenylmethyl]benzene
CID 67724284
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460

Frequently Asked Questions

What is the IUPAC name of [2-[2-[5,5-bis(phenylmethoxy)pentoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene?
The IUPAC name of [2-[2-[5,5-bis(phenylmethoxy)pentoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene (CID 58664656) is [2-[2-[5,5-bis(phenylmethoxy)pentoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene.
What is the SMILES notation for [2-[2-[5,5-bis(phenylmethoxy)pentoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene?
The canonical SMILES for [2-[2-[5,5-bis(phenylmethoxy)pentoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene is c1ccc(COC(CCCCOCCOCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)OCc2ccccc2)cc1.
What is the InChIKey of [2-[2-[5,5-bis(phenylmethoxy)pentoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene?
The InChIKey is HBPIDPZWRYUHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46O4S/c1-6-18-36(19-7-1)34-45-41(46-35-37-20-8-2-9-21-37)28-16-17-29-43-30-31-44-32-33-47-42(38-22-10-3-11-23-38,39-24-12-4-13-25-39)40-26-14-5-15-27-40/h1-15,18-27,41H,16-17,28-35H2.
What are the key properties of [2-[2-[5,5-bis(phenylmethoxy)pentoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene?
[2-[2-[5,5-bis(phenylmethoxy)pentoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene has a molecular weight of 646.89 g/mol, XLogP of 9.67, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[5,5-bis(phenylmethoxy)pentoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene is sourced from PubChem (CID 58664656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).