2-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol

C48H38O6 — CID 176584558

IUPAC2-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol
SMILESCC(c1ccccc1)(c1ccc(OCCO)c(-c2ccc3oc4ccccc4c3c2)c1)c1ccc(OCCO)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C48H38O6/c1-48(33-9-3-2-4-10-33,34-17-21-42(51-25-23-49)38(29-34)31-15-19-46-40(27-31)36-11-5-7-13-44(36)53-46)35-18-22-43(52-26-24-50)39(30-35)32-16-20-47-41(28-32)37-12-6-8-14-45(37)54-47/h2-22,27-30,49-50H,23-26H2,1H3
InChIKeySODUHEACJNJNAZ-UHFFFAOYSA-N
MW710.83 g/mol
LogP10.92
Rot. Bonds11

About 2-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol

2-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol (PubChem CID 176584558) has the molecular formula C48H38O6 and a molecular weight of 710.83 g/mol. Its IUPAC name is 2-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol
PubChem CID176584558
Molecular FormulaC48H38O6
Molecular Weight710.83 g/mol
Exact Mass710.27
IUPAC Name2-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol
SMILESCC(c1ccccc1)(c1ccc(OCCO)c(-c2ccc3oc4ccccc4c3c2)c1)c1ccc(OCCO)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C48H38O6/c1-48(33-9-3-2-4-10-33,34-17-21-42(51-25-23-49)38(29-34)31-15-19-46-40(27-31)36-11-5-7-13-44(36)53-46)35-18-22-43(52-26-24-50)39(30-35)32-16-20-47-41(28-32)37-12-6-8-14-45(37)54-47/h2-22,27-30,49-50H,23-26H2,1H3
InChIKeySODUHEACJNJNAZ-UHFFFAOYSA-N
XLogP10.92
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.83
LogP ≤ 510.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
CID 144568487
3-dibenzofuran-2-yl-3-methylbutan-1-ol
CID 79838391
3-[4-[[4-(3-hydroxypropoxy)-3-phenylphenyl]-diphenylmethyl]-2-phenylphenoxy]propan-1-ol
CID 141468799
2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol
CID 167508101
2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran
CID 134486680
2-(2-methylphenyl)dibenzofuran
CID 118188503
2-(4-iodo-3,5-diphenylphenyl)dibenzofuran
CID 177108172
3-[2-[4-[1-[4-[2-(oxiran-2-ylmethoxy)ethoxy]-3-phenylphenyl]-1-(4-phenylphenyl)ethyl]-2-phenylphenoxy]ethoxy]oxetane
CID 135210507
2-[3-chrysen-6-yl-5-(12-phenylchrysen-6-yl)phenyl]dibenzofuran
CID 58037141
2,8-di(chrysen-6-yl)dibenzofuran
CID 87692920
2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol
CID 163620263
2-dibenzofuran-2-yl-2-hydroxypropanoic acid
CID 163411383

Frequently Asked Questions

What is the IUPAC name of 2-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol?
The IUPAC name of 2-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol (CID 176584558) is 2-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol is CC(c1ccccc1)(c1ccc(OCCO)c(-c2ccc3oc4ccccc4c3c2)c1)c1ccc(OCCO)c(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 2-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol?
The InChIKey is SODUHEACJNJNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38O6/c1-48(33-9-3-2-4-10-33,34-17-21-42(51-25-23-49)38(29-34)31-15-19-46-40(27-31)36-11-5-7-13-44(36)53-46)35-18-22-43(52-26-24-50)39(30-35)32-16-20-47-41(28-32)37-12-6-8-14-45(37)54-47/h2-22,27-30,49-50H,23-26H2,1H3.
What are the key properties of 2-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol?
2-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol has a molecular weight of 710.83 g/mol, XLogP of 10.92, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol is sourced from PubChem (CID 176584558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).