4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[1-[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]phenyl]phenoxy]ethoxy]phenol

C70H62O12 — CID 142364348

IUPAC4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[1-[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]phenyl]phenoxy]ethoxy]phenol
SMILESCC(c1ccc(-c2ccccc2)cc1)(c1cc(-c2ccc(OCCOc3ccc(O)cc3)cc2)ccc1OCCOc1ccc(O)cc1)c1cc(-c2ccc(OCCOc3ccc(O)cc3)cc2)ccc1OCCOc1ccc(O)cc1
InChIInChI=1S/C70H62O12/c1-70(55-15-7-50(8-16-55)49-5-3-2-4-6-49,66-47-53(13-37-68(66)81-45-43-79-64-33-21-58(73)22-34-64)51-9-25-60(26-10-51)75-39-41-77-62-29-17-56(71)18-30-62)67-48-54(14-38-69(67)82-46-44-80-65-35-23-59(74)24-36-65)52-11-27-61(28-12-52)76-40-42-78-63-31-19-57(72)20-32-63/h2-38,47-48,71-74H,39-46H2,1H3
InChIKeyDMALNPYURXBBTA-UHFFFAOYSA-N
MW1095.25 g/mol
LogP14.70
Rot. Bonds26

About 4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[1-[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]phenyl]phenoxy]ethoxy]phenol

4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[1-[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]phenyl]phenoxy]ethoxy]phenol (PubChem CID 142364348) has the molecular formula C70H62O12 and a molecular weight of 1095.25 g/mol. Its IUPAC name is 4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[1-[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]phenyl]phenoxy]ethoxy]phenol.

Molecular Properties

Compound Name4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[1-[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]phenyl]phenoxy]ethoxy]phenol
PubChem CID142364348
Molecular FormulaC70H62O12
Molecular Weight1095.25 g/mol
Exact Mass1094.42
IUPAC Name4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[1-[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]phenyl]phenoxy]ethoxy]phenol
SMILESCC(c1ccc(-c2ccccc2)cc1)(c1cc(-c2ccc(OCCOc3ccc(O)cc3)cc2)ccc1OCCOc1ccc(O)cc1)c1cc(-c2ccc(OCCOc3ccc(O)cc3)cc2)ccc1OCCOc1ccc(O)cc1
InChIInChI=1S/C70H62O12/c1-70(55-15-7-50(8-16-55)49-5-3-2-4-6-49,66-47-53(13-37-68(66)81-45-43-79-64-33-21-58(73)22-34-64)51-9-25-60(26-10-51)75-39-41-77-62-29-17-56(71)18-30-62)67-48-54(14-38-69(67)82-46-44-80-65-35-23-59(74)24-36-65)52-11-27-61(28-12-52)76-40-42-78-63-31-19-57(72)20-32-63/h2-38,47-48,71-74H,39-46H2,1H3
InChIKeyDMALNPYURXBBTA-UHFFFAOYSA-N
XLogP14.70
TPSA154.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001095.25
LogP ≤ 514.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[1-[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]phenyl]phenoxy]ethoxy]phenol with MolForge

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Related Compounds

4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenoxy]ethoxy]phenol
CID 142364310
4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol
CID 176584463
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
4-[4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]ethoxy]-3-propylphenyl]benzenecarboximidamide
CID 20673666
1-ethoxy-4-phenylbenzene;phenol
CID 174652155
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
4-tert-butylphenol;pentoxybenzene
CID 161478542
1-octoxy-4-(4-octoxyphenyl)-2-(trifluoromethyl)benzene
CID 139992979
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
1-(4-phenylphenyl)ethane-1,1-diol
CID 67813476
2-[10-[4-(4-hydroxyphenyl)phenoxy]decoxy]terephthalic acid
CID 100915852

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[1-[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]phenyl]phenoxy]ethoxy]phenol?
The IUPAC name of 4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[1-[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]phenyl]phenoxy]ethoxy]phenol (CID 142364348) is 4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[1-[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]phenyl]phenoxy]ethoxy]phenol.
What is the SMILES notation for 4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[1-[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]phenyl]phenoxy]ethoxy]phenol?
The canonical SMILES for 4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[1-[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]phenyl]phenoxy]ethoxy]phenol is CC(c1ccc(-c2ccccc2)cc1)(c1cc(-c2ccc(OCCOc3ccc(O)cc3)cc2)ccc1OCCOc1ccc(O)cc1)c1cc(-c2ccc(OCCOc3ccc(O)cc3)cc2)ccc1OCCOc1ccc(O)cc1.
What is the InChIKey of 4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[1-[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]phenyl]phenoxy]ethoxy]phenol?
The InChIKey is DMALNPYURXBBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H62O12/c1-70(55-15-7-50(8-16-55)49-5-3-2-4-6-49,66-47-53(13-37-68(66)81-45-43-79-64-33-21-58(73)22-34-64)51-9-25-60(26-10-51)75-39-41-77-62-29-17-56(71)18-30-62)67-48-54(14-38-69(67)82-46-44-80-65-35-23-59(74)24-36-65)52-11-27-61(28-12-52)76-40-42-78-63-31-19-57(72)20-32-63/h2-38,47-48,71-74H,39-46H2,1H3.
What are the key properties of 4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[1-[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]phenyl]phenoxy]ethoxy]phenol?
4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[1-[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]phenyl]phenoxy]ethoxy]phenol has a molecular weight of 1095.25 g/mol, XLogP of 14.70, 26 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[1-[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]phenyl]phenoxy]ethoxy]phenol is sourced from PubChem (CID 142364348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).