2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene

C34H34O2 — CID 158794171

IUPAC2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene
SMILESCCc1ccc(COc2c3ccccc3c(OCc3ccc(CC)cc3)c3cc(CC)ccc23)cc1
InChIInChI=1S/C34H34O2/c1-4-24-11-15-27(16-12-24)22-35-33-29-9-7-8-10-30(29)34(32-21-26(6-3)19-20-31(32)33)36-23-28-17-13-25(5-2)14-18-28/h7-21H,4-6,22-23H2,1-3H3
InChIKeyISQUKBJBGYVSQX-UHFFFAOYSA-N
MW474.64 g/mol
LogP8.84
Rot. Bonds9

About 2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene

2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene (PubChem CID 158794171) has the molecular formula C34H34O2 and a molecular weight of 474.64 g/mol. Its IUPAC name is 2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene.

Molecular Properties

Compound Name2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene
PubChem CID158794171
Molecular FormulaC34H34O2
Molecular Weight474.64 g/mol
Exact Mass474.26
IUPAC Name2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene
SMILESCCc1ccc(COc2c3ccccc3c(OCc3ccc(CC)cc3)c3cc(CC)ccc23)cc1
InChIInChI=1S/C34H34O2/c1-4-24-11-15-27(16-12-24)22-35-33-29-9-7-8-10-30(29)34(32-21-26(6-3)19-20-31(32)33)36-23-28-17-13-25(5-2)14-18-28/h7-21H,4-6,22-23H2,1-3H3
InChIKeyISQUKBJBGYVSQX-UHFFFAOYSA-N
XLogP8.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.64
LogP ≤ 58.84
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-di(nonoxy)anthracene
CID 139930282
2-ethyl-9,10-bis(ethylsulfanylmethoxy)anthracene
CID 139902073
2-ethyl-9,10-bis(propylsulfanylmethoxy)anthracene
CID 139902124
2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene
CID 139929966
2-ethyl-9,10-diphenoxyanthracene
CID 139904651
2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene
CID 160603316
9,10-bis(cyclohexylsulfanylmethoxy)-2-ethylanthracene
CID 139902000
9,10-bis(decylsulfanylmethoxy)-2-ethylanthracene
CID 139902062
2-[4-[3-ethyl-10-[4-(2-hydroxyethylsulfanyl)butoxy]anthracen-9-yl]oxybutylsulfanyl]ethanol
CID 139902109
2-ethyl-9,10-dimethylideneanthracene
CID 142246344
2-ethyl-9,10-dimethylanthracene;methane
CID 157065860
4-[(4-ethylphenyl)methoxy]naphthalen-1-amine
CID 63690640

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene?
The IUPAC name of 2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene (CID 158794171) is 2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene.
What is the SMILES notation for 2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene?
The canonical SMILES for 2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene is CCc1ccc(COc2c3ccccc3c(OCc3ccc(CC)cc3)c3cc(CC)ccc23)cc1.
What is the InChIKey of 2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene?
The InChIKey is ISQUKBJBGYVSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34O2/c1-4-24-11-15-27(16-12-24)22-35-33-29-9-7-8-10-30(29)34(32-21-26(6-3)19-20-31(32)33)36-23-28-17-13-25(5-2)14-18-28/h7-21H,4-6,22-23H2,1-3H3.
What are the key properties of 2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene?
2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene has a molecular weight of 474.64 g/mol, XLogP of 8.84, 9 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[(4-ethylphenyl)methoxy]anthracene is sourced from PubChem (CID 158794171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).