2-ethyl-9,10-diphenoxyanthracene

C28H22O2 — CID 139904651

IUPAC2-ethyl-9,10-diphenoxyanthracene
SMILESCCc1ccc2c(Oc3ccccc3)c3ccccc3c(Oc3ccccc3)c2c1
InChIInChI=1S/C28H22O2/c1-2-20-17-18-25-26(19-20)28(30-22-13-7-4-8-14-22)24-16-10-9-15-23(24)27(25)29-21-11-5-3-6-12-21/h3-19H,2H2,1H3
InChIKeyZBBPXRLQDDRYGN-UHFFFAOYSA-N
MW390.48 g/mol
LogP8.14
Rot. Bonds5

About 2-ethyl-9,10-diphenoxyanthracene

2-ethyl-9,10-diphenoxyanthracene (PubChem CID 139904651) has the molecular formula C28H22O2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-ethyl-9,10-diphenoxyanthracene.

Molecular Properties

Compound Name2-ethyl-9,10-diphenoxyanthracene
PubChem CID139904651
Molecular FormulaC28H22O2
Molecular Weight390.48 g/mol
Exact Mass390.16
IUPAC Name2-ethyl-9,10-diphenoxyanthracene
SMILESCCc1ccc2c(Oc3ccccc3)c3ccccc3c(Oc3ccccc3)c2c1
InChIInChI=1S/C28H22O2/c1-2-20-17-18-25-26(19-20)28(30-22-13-7-4-8-14-22)24-16-10-9-15-23(24)27(25)29-21-11-5-3-6-12-21/h3-19H,2H2,1H3
InChIKeyZBBPXRLQDDRYGN-UHFFFAOYSA-N
XLogP8.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene
CID 139929966
2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene
CID 158794171
2-ethyl-9,10-bis(ethylsulfanylmethoxy)anthracene
CID 139902073
2-ethyl-9,10-di(nonoxy)anthracene
CID 139930282
2-ethyl-9,10-bis(propylsulfanylmethoxy)anthracene
CID 139902124
2-ethyl-9,10-dimethylanthracene;methane
CID 157065860
2-ethyl-9,10-dimethylideneanthracene
CID 142246344
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
ethane;2-ethyltriphenylene;9H-fluorene
CID 158463433
9,10-bis(decylsulfanylmethoxy)-2-ethylanthracene
CID 139902062
9,10-bis(cyclohexylsulfanylmethoxy)-2-ethylanthracene
CID 139902000
2-(chloromethyl)-9,10-bis(2-phenoxyethoxy)anthracene
CID 139930148

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9,10-diphenoxyanthracene?
The IUPAC name of 2-ethyl-9,10-diphenoxyanthracene (CID 139904651) is 2-ethyl-9,10-diphenoxyanthracene.
What is the SMILES notation for 2-ethyl-9,10-diphenoxyanthracene?
The canonical SMILES for 2-ethyl-9,10-diphenoxyanthracene is CCc1ccc2c(Oc3ccccc3)c3ccccc3c(Oc3ccccc3)c2c1.
What is the InChIKey of 2-ethyl-9,10-diphenoxyanthracene?
The InChIKey is ZBBPXRLQDDRYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O2/c1-2-20-17-18-25-26(19-20)28(30-22-13-7-4-8-14-22)24-16-10-9-15-23(24)27(25)29-21-11-5-3-6-12-21/h3-19H,2H2,1H3.
What are the key properties of 2-ethyl-9,10-diphenoxyanthracene?
2-ethyl-9,10-diphenoxyanthracene has a molecular weight of 390.48 g/mol, XLogP of 8.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9,10-diphenoxyanthracene is sourced from PubChem (CID 139904651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).