2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene

C24H30O2 — CID 139929966

IUPAC2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene
SMILESCCc1ccc2c(OC(C)(C)C)c3ccccc3c(OC(C)(C)C)c2c1
InChIInChI=1S/C24H30O2/c1-8-16-13-14-19-20(15-16)22(26-24(5,6)7)18-12-10-9-11-17(18)21(19)25-23(2,3)4/h9-15H,8H2,1-7H3
InChIKeyVOHMFVZQNUBSON-UHFFFAOYSA-N
MW350.50 g/mol
LogP6.91
Rot. Bonds3

About 2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene

2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene (PubChem CID 139929966) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene.

Molecular Properties

Compound Name2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene
PubChem CID139929966
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene
SMILESCCc1ccc2c(OC(C)(C)C)c3ccccc3c(OC(C)(C)C)c2c1
InChIInChI=1S/C24H30O2/c1-8-16-13-14-19-20(15-16)22(26-24(5,6)7)18-12-10-9-11-17(18)21(19)25-23(2,3)4/h9-15H,8H2,1-7H3
InChIKeyVOHMFVZQNUBSON-UHFFFAOYSA-N
XLogP6.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-9,10-diphenoxyanthracene
CID 139904651
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
9,10-bis(decylsulfanylmethoxy)-2-ethylanthracene
CID 139902062
9,10-bis(cyclohexylsulfanylmethoxy)-2-ethylanthracene
CID 139902000
ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 157281363
2-[4-[3-ethyl-10-[4-(2-hydroxyethylsulfanyl)butoxy]anthracen-9-yl]oxybutylsulfanyl]ethanol
CID 139902109
3-ethyldibenzofuran
CID 58510747

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene?
The IUPAC name of 2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene (CID 139929966) is 2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene.
What is the SMILES notation for 2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene?
The canonical SMILES for 2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene is CCc1ccc2c(OC(C)(C)C)c3ccccc3c(OC(C)(C)C)c2c1.
What is the InChIKey of 2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene?
The InChIKey is VOHMFVZQNUBSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c1-8-16-13-14-19-20(15-16)22(26-24(5,6)7)18-12-10-9-11-17(18)21(19)25-23(2,3)4/h9-15H,8H2,1-7H3.
What are the key properties of 2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene?
2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene has a molecular weight of 350.50 g/mol, XLogP of 6.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene is sourced from PubChem (CID 139929966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).