[2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-phenylphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-phenylphenyl]methanol

C34H38O8 — CID 71560113

IUPAC[2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-phenylphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-phenylphenyl]methanol
SMILESOCc1cc(-c2ccccc2)cc(CO)c1OCCOCCOCCOc1c(CO)cc(-c2ccccc2)cc1CO
InChIInChI=1S/C34H38O8/c35-21-29-17-27(25-7-3-1-4-8-25)18-30(22-36)33(29)41-15-13-39-11-12-40-14-16-42-34-31(23-37)19-28(20-32(34)24-38)26-9-5-2-6-10-26/h1-10,17-20,35-38H,11-16,21-24H2
InChIKeyBAKDXNSIJOBDMM-UHFFFAOYSA-N
MW574.67 g/mol
LogP4.48
Rot. Bonds17

About [2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-phenylphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-phenylphenyl]methanol

[2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-phenylphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-phenylphenyl]methanol (PubChem CID 71560113) has the molecular formula C34H38O8 and a molecular weight of 574.67 g/mol. Its IUPAC name is [2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-phenylphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-phenylphenyl]methanol.

Molecular Properties

Compound Name[2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-phenylphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-phenylphenyl]methanol
PubChem CID71560113
Molecular FormulaC34H38O8
Molecular Weight574.67 g/mol
Exact Mass574.26
IUPAC Name[2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-phenylphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-phenylphenyl]methanol
SMILESOCc1cc(-c2ccccc2)cc(CO)c1OCCOCCOCCOc1c(CO)cc(-c2ccccc2)cc1CO
InChIInChI=1S/C34H38O8/c35-21-29-17-27(25-7-3-1-4-8-25)18-30(22-36)33(29)41-15-13-39-11-12-40-14-16-42-34-31(23-37)19-28(20-32(34)24-38)26-9-5-2-6-10-26/h1-10,17-20,35-38H,11-16,21-24H2
InChIKeyBAKDXNSIJOBDMM-UHFFFAOYSA-N
XLogP4.48
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.67
LogP ≤ 54.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

43,44,45,46,47,48,49-heptakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5,11,17,23,29,35,41-heptakis-phenyloctacyclo[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
CID 51034062
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
[5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol
CID 102421816
(2-ethyl-3,5-diphenylphenyl)methanol
CID 172831551
2-(2-phenoxyethoxy)ethanol
CID 7715
1-(chloromethyl)-3-phenylnaphthalene
CID 21283572
2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde
CID 14688776
3-bromo-2-(2-ethoxyethoxy)-5-phenylaniline
CID 54853561
[3-octoxy-2-[2-[2-(2-octoxyphenoxy)ethoxy]ethoxy]phenyl]methanol
CID 102217189
[5-(hydroxymethyl)azulen-6-yl]methanol
CID 130131537
2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
CID 102155693
9,10-bis(2-phenylmethoxyethoxy)anthracene
CID 139845395

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-phenylphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-phenylphenyl]methanol?
The IUPAC name of [2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-phenylphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-phenylphenyl]methanol (CID 71560113) is [2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-phenylphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-phenylphenyl]methanol.
What is the SMILES notation for [2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-phenylphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-phenylphenyl]methanol?
The canonical SMILES for [2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-phenylphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-phenylphenyl]methanol is OCc1cc(-c2ccccc2)cc(CO)c1OCCOCCOCCOc1c(CO)cc(-c2ccccc2)cc1CO.
What is the InChIKey of [2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-phenylphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-phenylphenyl]methanol?
The InChIKey is BAKDXNSIJOBDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O8/c35-21-29-17-27(25-7-3-1-4-8-25)18-30(22-36)33(29)41-15-13-39-11-12-40-14-16-42-34-31(23-37)19-28(20-32(34)24-38)26-9-5-2-6-10-26/h1-10,17-20,35-38H,11-16,21-24H2.
What are the key properties of [2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-phenylphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-phenylphenyl]methanol?
[2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-phenylphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-phenylphenyl]methanol has a molecular weight of 574.67 g/mol, XLogP of 4.48, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-phenylphenoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-phenylphenyl]methanol is sourced from PubChem (CID 71560113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).