2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol

C52H42O6 — CID 176864187

IUPAC2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol
SMILESOCCOc1ccc2ccccc2c1-c1cccc2ccc(OCc3cccc(COc4ccc5ccccc5c4-c4c(OCCO)ccc5ccccc45)c3)cc12
InChIInChI=1S/C52H42O6/c53-27-29-55-47-24-20-37-11-1-4-15-42(37)50(47)45-18-8-14-40-19-23-41(32-46(40)45)57-33-35-9-7-10-36(31-35)34-58-49-26-22-39-13-3-6-17-44(39)52(49)51-43-16-5-2-12-38(43)21-25-48(51)56-30-28-54/h1-26,31-32,53-54H,27-30,33-34H2
InChIKeyIQXKKAXPCFCFII-UHFFFAOYSA-N
MW762.90 g/mol
LogP11.53
Rot. Bonds14

About 2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol

2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol (PubChem CID 176864187) has the molecular formula C52H42O6 and a molecular weight of 762.90 g/mol. Its IUPAC name is 2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol
PubChem CID176864187
Molecular FormulaC52H42O6
Molecular Weight762.90 g/mol
Exact Mass762.30
IUPAC Name2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol
SMILESOCCOc1ccc2ccccc2c1-c1cccc2ccc(OCc3cccc(COc4ccc5ccccc5c4-c4c(OCCO)ccc5ccccc45)c3)cc12
InChIInChI=1S/C52H42O6/c53-27-29-55-47-24-20-37-11-1-4-15-42(37)50(47)45-18-8-14-40-19-23-41(32-46(40)45)57-33-35-9-7-10-36(31-35)34-58-49-26-22-39-13-3-6-17-44(39)52(49)51-43-16-5-2-12-38(43)21-25-48(51)56-30-28-54/h1-26,31-32,53-54H,27-30,33-34H2
InChIKeyIQXKKAXPCFCFII-UHFFFAOYSA-N
XLogP11.53
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.90
LogP ≤ 511.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol with MolForge

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Related Compounds

2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 169258581
2-[1-[2-(2-methoxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 144623852
2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol
CID 12994977
2-[(3-methylphenyl)methoxy]-1-phenylnaphthalene
CID 132584959
2-[1-[2-(2-hydroxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethanol;2-[1-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethanol
CID 163740877
3-[(benzylamino)methyl]-1-[2-[[3-[[1-[3-[(benzylamino)methyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-ol
CID 122374363
2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid)
CID 86743802
1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene
CID 170694617
2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene
CID 11227562
1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
2-[1-(5,5-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol
CID 175154022
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115

Frequently Asked Questions

What is the IUPAC name of 2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol?
The IUPAC name of 2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol (CID 176864187) is 2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol.
What is the SMILES notation for 2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol?
The canonical SMILES for 2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol is OCCOc1ccc2ccccc2c1-c1cccc2ccc(OCc3cccc(COc4ccc5ccccc5c4-c4c(OCCO)ccc5ccccc45)c3)cc12.
What is the InChIKey of 2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol?
The InChIKey is IQXKKAXPCFCFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42O6/c53-27-29-55-47-24-20-37-11-1-4-15-42(37)50(47)45-18-8-14-40-19-23-41(32-46(40)45)57-33-35-9-7-10-36(31-35)34-58-49-26-22-39-13-3-6-17-44(39)52(49)51-43-16-5-2-12-38(43)21-25-48(51)56-30-28-54/h1-26,31-32,53-54H,27-30,33-34H2.
What are the key properties of 2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol?
2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol has a molecular weight of 762.90 g/mol, XLogP of 11.53, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol is sourced from PubChem (CID 176864187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).