[4-[3-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]thiophen-2-yl]methanol

C37H46O8S — CID 142879736

IUPAC[4-[3-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]thiophen-2-yl]methanol
SMILESCOc1ccc(C(OCCOCCOCCOCCOCCCc2csc(CO)c2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C37H46O8S/c1-39-34-14-10-32(11-15-34)37(31-8-4-3-5-9-31,33-12-16-35(40-2)17-13-33)45-26-25-44-24-23-43-22-21-42-20-19-41-18-6-7-30-27-36(28-38)46-29-30/h3-5,8-17,27,29,38H,6-7,18-26,28H2,1-2H3
InChIKeyMTSKZBJRHDGHMX-UHFFFAOYSA-N
MW650.83 g/mol
LogP6.27
Rot. Bonds23

About [4-[3-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]thiophen-2-yl]methanol

[4-[3-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]thiophen-2-yl]methanol (PubChem CID 142879736) has the molecular formula C37H46O8S and a molecular weight of 650.83 g/mol. Its IUPAC name is [4-[3-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]thiophen-2-yl]methanol
PubChem CID142879736
Molecular FormulaC37H46O8S
Molecular Weight650.83 g/mol
Exact Mass650.29
IUPAC Name[4-[3-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]thiophen-2-yl]methanol
SMILESCOc1ccc(C(OCCOCCOCCOCCOCCCc2csc(CO)c2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C37H46O8S/c1-39-34-14-10-32(11-15-34)37(31-8-4-3-5-9-31,33-12-16-35(40-2)17-13-33)45-26-25-44-24-23-43-22-21-42-20-19-41-18-6-7-30-27-36(28-38)46-29-30/h3-5,8-17,27,29,38H,6-7,18-26,28H2,1-2H3
InChIKeyMTSKZBJRHDGHMX-UHFFFAOYSA-N
XLogP6.27
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 54065876
1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene
CID 175834590
4-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 18974823
[4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol
CID 68665796
3-[[3-(dimethylamino)phenyl]-(4-methoxyphenyl)-(3-phenylpropoxy)methyl]-N,N-dimethylaniline
CID 53469286
4-[2-[3-[3-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]propyldisulfanyl]propoxy]ethoxy]-4-oxobutanoic acid
CID 53340297
1-methoxy-4-(10-trityloxydecoxymethyl)benzene
CID 11284058
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol
CID 11408463
3-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxymethyl]-5-bromo-6-hydroxy-1,6-dihydropyrimidin-2-one
CID 164621364
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149

Frequently Asked Questions

What is the IUPAC name of [4-[3-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]thiophen-2-yl]methanol?
The IUPAC name of [4-[3-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]thiophen-2-yl]methanol (CID 142879736) is [4-[3-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]thiophen-2-yl]methanol.
What is the SMILES notation for [4-[3-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]thiophen-2-yl]methanol?
The canonical SMILES for [4-[3-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]thiophen-2-yl]methanol is COc1ccc(C(OCCOCCOCCOCCOCCCc2csc(CO)c2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [4-[3-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]thiophen-2-yl]methanol?
The InChIKey is MTSKZBJRHDGHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46O8S/c1-39-34-14-10-32(11-15-34)37(31-8-4-3-5-9-31,33-12-16-35(40-2)17-13-33)45-26-25-44-24-23-43-22-21-42-20-19-41-18-6-7-30-27-36(28-38)46-29-30/h3-5,8-17,27,29,38H,6-7,18-26,28H2,1-2H3.
What are the key properties of [4-[3-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]thiophen-2-yl]methanol?
[4-[3-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]thiophen-2-yl]methanol has a molecular weight of 650.83 g/mol, XLogP of 6.27, 23 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]thiophen-2-yl]methanol is sourced from PubChem (CID 142879736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).