2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol

C30H42O12 — CID 89126006

IUPAC2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol
SMILESOCCOCCOc1ccc(OCCOCCO)c2cc3c(OCCOCCO)ccc(OCCOCCO)c3cc12
InChIInChI=1S/C30H42O12/c31-5-9-35-13-17-39-27-1-2-28(40-18-14-36-10-6-32)24-22-26-25(21-23(24)27)29(41-19-15-37-11-7-33)3-4-30(26)42-20-16-38-12-8-34/h1-4,21-22,31-34H,5-20H2
InChIKeyMVSKBSQJPYAJOU-UHFFFAOYSA-N
MW594.65 g/mol
LogP1.54
Rot. Bonds24

About 2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol

2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol (PubChem CID 89126006) has the molecular formula C30H42O12 and a molecular weight of 594.65 g/mol. Its IUPAC name is 2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol
PubChem CID89126006
Molecular FormulaC30H42O12
Molecular Weight594.65 g/mol
Exact Mass594.27
IUPAC Name2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol
SMILESOCCOCCOc1ccc(OCCOCCO)c2cc3c(OCCOCCO)ccc(OCCOCCO)c3cc12
InChIInChI=1S/C30H42O12/c31-5-9-35-13-17-39-27-1-2-28(40-18-14-36-10-6-32)24-22-26-25(21-23(24)27)29(41-19-15-37-11-7-33)3-4-30(26)42-20-16-38-12-8-34/h1-4,21-22,31-34H,5-20H2
InChIKeyMVSKBSQJPYAJOU-UHFFFAOYSA-N
XLogP1.54
TPSA154.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.65
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol
CID 163651325
2-[2-[5-(2-ethoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 144738763
2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol
CID 12994977
2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 58864087
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol
CID 61071627
2-[2-(2,5-difluorophenoxy)ethoxy]ethanol
CID 63268776
2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 53338792
7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one
CID 25146352
2-[2-[[6-[2-(2-hydroxyethoxy)ethoxy]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]oxy]ethoxy]ethanol
CID 45141904
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
2-[2-[2-[2-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]thiophen-2-yl]thiophen-3-yl]oxyethoxy]ethoxy]ethanol
CID 176549967

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol?
The IUPAC name of 2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol (CID 89126006) is 2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol.
What is the SMILES notation for 2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol?
The canonical SMILES for 2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol is OCCOCCOc1ccc(OCCOCCO)c2cc3c(OCCOCCO)ccc(OCCOCCO)c3cc12.
What is the InChIKey of 2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol?
The InChIKey is MVSKBSQJPYAJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O12/c31-5-9-35-13-17-39-27-1-2-28(40-18-14-36-10-6-32)24-22-26-25(21-23(24)27)29(41-19-15-37-11-7-33)3-4-30(26)42-20-16-38-12-8-34/h1-4,21-22,31-34H,5-20H2.
What are the key properties of 2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol?
2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol has a molecular weight of 594.65 g/mol, XLogP of 1.54, 24 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol is sourced from PubChem (CID 89126006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).