4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol

C60H50O8 — CID 102320796

IUPAC4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol
SMILESOc1ccc(-c2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c(-c3ccc(O)cc3)cc2OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C60H50O8/c61-51-25-21-49(22-26-51)57-36-60(68-42-48-31-55(65-39-45-17-9-3-10-18-45)34-56(32-48)66-40-46-19-11-4-12-20-46)58(50-23-27-52(62)28-24-50)35-59(57)67-41-47-29-53(63-37-43-13-5-1-6-14-43)33-54(30-47)64-38-44-15-7-2-8-16-44/h1-36,61-62H,37-42H2
InChIKeyVDDPQQYCZCCWCN-UHFFFAOYSA-N
MW899.05 g/mol
LogP13.91
Rot. Bonds20

About 4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol

4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol (PubChem CID 102320796) has the molecular formula C60H50O8 and a molecular weight of 899.05 g/mol. Its IUPAC name is 4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol.

Molecular Properties

Compound Name4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol
PubChem CID102320796
Molecular FormulaC60H50O8
Molecular Weight899.05 g/mol
Exact Mass898.35
IUPAC Name4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol
SMILESOc1ccc(-c2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c(-c3ccc(O)cc3)cc2OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C60H50O8/c61-51-25-21-49(22-26-51)57-36-60(68-42-48-31-55(65-39-45-17-9-3-10-18-45)34-56(32-48)66-40-46-19-11-4-12-20-46)58(50-23-27-52(62)28-24-50)35-59(57)67-41-47-29-53(63-37-43-13-5-1-6-14-43)33-54(30-47)64-38-44-15-7-2-8-16-44/h1-36,61-62H,37-42H2
InChIKeyVDDPQQYCZCCWCN-UHFFFAOYSA-N
XLogP13.91
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.05
LogP ≤ 513.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol with MolForge

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Related Compounds

[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
[2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 101008055
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol
CID 23538933
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
2-phenyl-5-phenylmethoxyphenol
CID 123808909
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)methyl]-3,5-bis(phenylmethoxy)benzene
CID 158085246

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol?
The IUPAC name of 4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol (CID 102320796) is 4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol.
What is the SMILES notation for 4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol?
The canonical SMILES for 4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol is Oc1ccc(-c2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c(-c3ccc(O)cc3)cc2OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol?
The InChIKey is VDDPQQYCZCCWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50O8/c61-51-25-21-49(22-26-51)57-36-60(68-42-48-31-55(65-39-45-17-9-3-10-18-45)34-56(32-48)66-40-46-19-11-4-12-20-46)58(50-23-27-52(62)28-24-50)35-59(57)67-41-47-29-53(63-37-43-13-5-1-6-14-43)33-54(30-47)64-38-44-15-7-2-8-16-44/h1-36,61-62H,37-42H2.
What are the key properties of 4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol?
4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol has a molecular weight of 899.05 g/mol, XLogP of 13.91, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol is sourced from PubChem (CID 102320796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).