[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol

C49H44O7 — CID 15385707

IUPAC[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
SMILESOCc1cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c1
InChIInChI=1S/C49H44O7/c50-30-41-21-44(55-35-42-23-46(51-31-37-13-5-1-6-14-37)28-47(24-42)52-32-38-15-7-2-8-16-38)27-45(22-41)56-36-43-25-48(53-33-39-17-9-3-10-18-39)29-49(26-43)54-34-40-19-11-4-12-20-40/h1-29,50H,30-36H2
InChIKeyOSWLPGDZKJDTLU-UHFFFAOYSA-N
MW744.88 g/mol
LogP10.65
Rot. Bonds19

About [3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol

[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol (PubChem CID 15385707) has the molecular formula C49H44O7 and a molecular weight of 744.88 g/mol. Its IUPAC name is [3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
PubChem CID15385707
Molecular FormulaC49H44O7
Molecular Weight744.88 g/mol
Exact Mass744.31
IUPAC Name[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
SMILESOCc1cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c1
InChIInChI=1S/C49H44O7/c50-30-41-21-44(55-35-42-23-46(51-31-37-13-5-1-6-14-37)28-47(24-42)52-32-38-15-7-2-8-16-38)27-45(22-41)56-36-43-25-48(53-33-39-17-9-3-10-18-39)29-49(26-43)54-34-40-19-11-4-12-20-40/h1-29,50H,30-36H2
InChIKeyOSWLPGDZKJDTLU-UHFFFAOYSA-N
XLogP10.65
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.88
LogP ≤ 510.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071
[3-[[3,5-bis[[3,5-bis(hydroxymethyl)phenyl]methoxy]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methanol
CID 101251807
[2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 101008055
2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone
CID 101175069
[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
4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol
CID 160694879
[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol
CID 101100720
methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
CID 24813623
[6-(hydroxymethyl)-4-phenylmethoxy-2-pyridinyl]methanol
CID 11436507
[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]methanol
CID 69313641
[3,5-bis(phenylmethoxy)phenyl]methyl hydrogen sulfate
CID 102022862

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol?
The IUPAC name of [3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol (CID 15385707) is [3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol?
The canonical SMILES for [3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol is OCc1cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c1.
What is the InChIKey of [3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol?
The InChIKey is OSWLPGDZKJDTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44O7/c50-30-41-21-44(55-35-42-23-46(51-31-37-13-5-1-6-14-37)28-47(24-42)52-32-38-15-7-2-8-16-38)27-45(22-41)56-36-43-25-48(53-33-39-17-9-3-10-18-39)29-49(26-43)54-34-40-19-11-4-12-20-40/h1-29,50H,30-36H2.
What are the key properties of [3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol?
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol has a molecular weight of 744.88 g/mol, XLogP of 10.65, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 15385707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).