[2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol

C49H44O7 — CID 101008055

IUPAC[2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
SMILESOCc1c(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cccc1OCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C49H44O7/c50-30-47-48(55-35-41-24-43(51-31-37-14-5-1-6-15-37)28-44(25-41)52-32-38-16-7-2-8-17-38)22-13-23-49(47)56-36-42-26-45(53-33-39-18-9-3-10-19-39)29-46(27-42)54-34-40-20-11-4-12-21-40/h1-29,50H,30-36H2
InChIKeyAVANGQZAVUILNM-UHFFFAOYSA-N
MW744.88 g/mol
LogP10.65
Rot. Bonds19

About [2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol

[2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol (PubChem CID 101008055) has the molecular formula C49H44O7 and a molecular weight of 744.88 g/mol. Its IUPAC name is [2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
PubChem CID101008055
Molecular FormulaC49H44O7
Molecular Weight744.88 g/mol
Exact Mass744.31
IUPAC Name[2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
SMILESOCc1c(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cccc1OCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C49H44O7/c50-30-47-48(55-35-41-24-43(51-31-37-14-5-1-6-15-37)28-44(25-41)52-32-38-16-7-2-8-17-38)22-13-23-49(47)56-36-42-26-45(53-33-39-18-9-3-10-19-39)29-46(27-42)54-34-40-20-11-4-12-21-40/h1-29,50H,30-36H2
InChIKeyAVANGQZAVUILNM-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

[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
[2-(hydroxymethyl)-3-phenylmethoxyphenyl]methanol
CID 54499676
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071
4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol
CID 102320796
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol
CID 160694879
[6-(hydroxymethyl)-4-phenylmethoxy-2-pyridinyl]methanol
CID 11436507
[3,5-bis(phenylmethoxy)phenyl]methyl hydrogen sulfate
CID 102022862
3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol
CID 100984573
cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol
CID 71610242

Frequently Asked Questions

What is the IUPAC name of [2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol?
The IUPAC name of [2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol (CID 101008055) is [2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol.
What is the SMILES notation for [2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol?
The canonical SMILES for [2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol is OCc1c(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cccc1OCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1.
What is the InChIKey of [2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol?
The InChIKey is AVANGQZAVUILNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44O7/c50-30-47-48(55-35-41-24-43(51-31-37-14-5-1-6-15-37)28-44(25-41)52-32-38-16-7-2-8-17-38)22-13-23-49(47)56-36-42-26-45(53-33-39-18-9-3-10-19-39)29-46(27-42)54-34-40-20-11-4-12-21-40/h1-29,50H,30-36H2.
What are the key properties of [2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol?
[2,6-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 [2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 101008055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).