2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane

C60H64O12 — CID 101012741

IUPAC2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane
SMILESc1ccc(COc2cc(COc3cc(COCC4COCCOCCOCCOCCO4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C60H64O12/c1-5-13-47(14-6-1)39-67-56-31-52(32-57(36-56)68-40-48-15-7-2-8-16-48)43-71-54-29-51(38-65-46-60-45-64-26-25-62-22-21-61-23-24-63-27-28-66-60)30-55(35-54)72-44-53-33-58(69-41-49-17-9-3-10-18-49)37-59(34-53)70-42-50-19-11-4-12-20-50/h1-20,29-37,60H,21-28,38-46H2
InChIKeyZYNOKIATCZAQQJ-UHFFFAOYSA-N
MW977.16 g/mol
LogP11.14
Rot. Bonds22

About 2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane

2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane (PubChem CID 101012741) has the molecular formula C60H64O12 and a molecular weight of 977.16 g/mol. Its IUPAC name is 2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane.

Molecular Properties

Compound Name2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane
PubChem CID101012741
Molecular FormulaC60H64O12
Molecular Weight977.16 g/mol
Exact Mass976.44
IUPAC Name2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane
SMILESc1ccc(COc2cc(COc3cc(COCC4COCCOCCOCCOCCO4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C60H64O12/c1-5-13-47(14-6-1)39-67-56-31-52(32-57(36-56)68-40-48-15-7-2-8-16-48)43-71-54-29-51(38-65-46-60-45-64-26-25-62-22-21-61-23-24-63-27-28-66-60)30-55(35-54)72-44-53-33-58(69-41-49-17-9-3-10-18-49)37-59(34-53)70-42-50-19-11-4-12-20-50/h1-20,29-37,60H,21-28,38-46H2
InChIKeyZYNOKIATCZAQQJ-UHFFFAOYSA-N
XLogP11.14
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500977.16
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
28-methoxy-12-(phenylmethoxymethyl)-2,5,8,11,14,17,20,23-octaoxabicyclo[22.3.1]octacosa-1(27),24(28),25-triene
CID 15721738
17,18-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 102077079
14,15-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 102077077
14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 102077073
2-[[4-[[4-[4-(7-prop-2-enoxyheptoxy)phenyl]phenoxy]methyl]phenyl]methoxymethyl]-1,4,7,10-tetraoxacyclododecane
CID 101174517
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
2-benzyl-1,4-dioxane
CID 12910406
2-[4-[2-[6-(1,4-dioxan-2-ylmethoxy)-4-phenylmethoxy-2-pyridinyl]ethynyl]phenoxy]ethanamine;hydrochloride
CID 166529846
2-[[4-(2-methylhexan-2-yl)phenyl]methoxymethyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 146887587
oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol
CID 87608532
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane?
The IUPAC name of 2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane (CID 101012741) is 2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane.
What is the SMILES notation for 2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane?
The canonical SMILES for 2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane is c1ccc(COc2cc(COc3cc(COCC4COCCOCCOCCOCCO4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane?
The InChIKey is ZYNOKIATCZAQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H64O12/c1-5-13-47(14-6-1)39-67-56-31-52(32-57(36-56)68-40-48-15-7-2-8-16-48)43-71-54-29-51(38-65-46-60-45-64-26-25-62-22-21-61-23-24-63-27-28-66-60)30-55(35-54)72-44-53-33-58(69-41-49-17-9-3-10-18-49)37-59(34-53)70-42-50-19-11-4-12-20-50/h1-20,29-37,60H,21-28,38-46H2.
What are the key properties of 2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane?
2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane has a molecular weight of 977.16 g/mol, XLogP of 11.14, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane is sourced from PubChem (CID 101012741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).