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

C69H60O12 — CID 142364310

IUPAC4-[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
SMILESOc1ccc(OCCOc2ccc(-c3ccc(OCCOc4ccc(O)cc4)c(C(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(OCCOc6ccc(O)cc6)cc5)ccc4OCCOc4ccc(O)cc4)c3)cc2)cc1
InChIInChI=1S/C69H60O12/c70-55-16-28-61(29-17-55)76-40-38-74-59-24-10-50(11-25-59)53-14-36-67(80-44-42-78-63-32-20-57(72)21-33-63)65(46-53)69(52-8-6-49(7-9-52)48-4-2-1-3-5-48)66-47-54(15-37-68(66)81-45-43-79-64-34-22-58(73)23-35-64)51-12-26-60(27-13-51)75-39-41-77-62-30-18-56(71)19-31-62/h1-37,46-47,69-73H,38-45H2
InChIKeyIQHNFUQKFFNGMN-UHFFFAOYSA-N
MW1081.23 g/mol
LogP14.52
Rot. Bonds26

About 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

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 (PubChem CID 142364310) has the molecular formula C69H60O12 and a molecular weight of 1081.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID142364310
Molecular FormulaC69H60O12
Molecular Weight1081.23 g/mol
Exact Mass1080.41
IUPAC Name4-[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
SMILESOc1ccc(OCCOc2ccc(-c3ccc(OCCOc4ccc(O)cc4)c(C(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(OCCOc6ccc(O)cc6)cc5)ccc4OCCOc4ccc(O)cc4)c3)cc2)cc1
InChIInChI=1S/C69H60O12/c70-55-16-28-61(29-17-55)76-40-38-74-59-24-10-50(11-25-59)53-14-36-67(80-44-42-78-63-32-20-57(72)21-33-63)65(46-53)69(52-8-6-49(7-9-52)48-4-2-1-3-5-48)66-47-54(15-37-68(66)81-45-43-79-64-34-22-58(73)23-35-64)51-12-26-60(27-13-51)75-39-41-77-62-30-18-56(71)19-31-62/h1-37,46-47,69-73H,38-45H2
InChIKeyIQHNFUQKFFNGMN-UHFFFAOYSA-N
XLogP14.52
TPSA154.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001081.23
LogP ≤ 514.52
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-[[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenoxy]ethoxy]phenol with MolForge

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Related Compounds

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
2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene
CID 134550776
1-ethoxy-4-phenylbenzene;phenol
CID 174652155
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol
CID 126693552
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol
CID 86027705
2-[2-[2,4-diiodo-6-[[2-[2-(oxiran-2-ylmethoxy)ethoxy]-5-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]-[3-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]methyl]phenoxy]ethoxymethyl]oxirane
CID 160896673
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
4-[(4-hydroxyphenyl)-(4-octoxyphenyl)methyl]phenol
CID 139680451
3-methoxy-3-[3-methoxy-4-[3-(4-phenylphenoxy)propoxy]phenyl]propanoic acid
CID 91601490

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Oc1ccc(OCCOc2ccc(-c3ccc(OCCOc4ccc(O)cc4)c(C(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(OCCOc6ccc(O)cc6)cc5)ccc4OCCOc4ccc(O)cc4)c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is IQHNFUQKFFNGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H60O12/c70-55-16-28-61(29-17-55)76-40-38-74-59-24-10-50(11-25-59)53-14-36-67(80-44-42-78-63-32-20-57(72)21-33-63)65(46-53)69(52-8-6-49(7-9-52)48-4-2-1-3-5-48)66-47-54(15-37-68(66)81-45-43-79-64-34-22-58(73)23-35-64)51-12-26-60(27-13-51)75-39-41-77-62-30-18-56(71)19-31-62/h1-37,46-47,69-73H,38-45H2.
What are the key properties of 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?
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 has a molecular weight of 1081.23 g/mol, XLogP of 14.52, 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-[[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenoxy]ethoxy]phenol is sourced from PubChem (CID 142364310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).