2-ethyl-9,10-dimethylanthracene;methane

C19H22 — CID 157065860

IUPAC2-ethyl-9,10-dimethylanthracene;methane
SMILESC.CCc1ccc2c(C)c3ccccc3c(C)c2c1
InChIInChI=1S/C18H18.CH4/c1-4-14-9-10-17-12(2)15-7-5-6-8-16(15)13(3)18(17)11-14;/h5-11H,4H2,1-3H3;1H4
InChIKeyABWDCSDZEOPOKO-UHFFFAOYSA-N
MW250.38 g/mol
LogP5.81
Rot. Bonds1

About 2-ethyl-9,10-dimethylanthracene;methane

2-ethyl-9,10-dimethylanthracene;methane (PubChem CID 157065860) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-ethyl-9,10-dimethylanthracene;methane.

Molecular Properties

Compound Name2-ethyl-9,10-dimethylanthracene;methane
PubChem CID157065860
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name2-ethyl-9,10-dimethylanthracene;methane
SMILESC.CCc1ccc2c(C)c3ccccc3c(C)c2c1
InChIInChI=1S/C18H18.CH4/c1-4-14-9-10-17-12(2)15-7-5-6-8-16(15)13(3)18(17)11-14;/h5-11H,4H2,1-3H3;1H4
InChIKeyABWDCSDZEOPOKO-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-ethyl-9,10-dimethylanthracene
CID 145498323
2-ethyl-9,10-dimethylideneanthracene
CID 142246344
2-ethyl-9,10-dimethylanthracene;4-ethyl-7,12-dimethylbenzo[a]anthracene;7-ethyl-4,12-dimethylbenzo[a]anthracene;9-ethyl-10-methylanthracene
CID 161188979
2-ethyl-9-methylcarbazole
CID 71038255
2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene
CID 139929966
2-ethyl-9,10-diphenoxyanthracene
CID 139904651
2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene
CID 158794171
3-ethyldibenzofuran
CID 58510747
2,3-diethyl-1,4-dimethylnaphthalene
CID 59270753
ethane;2-ethylnaphthalene;methane;1-methylnaphthalene
CID 144603331
ethane;2-ethyltriphenylene;9H-fluorene
CID 158463433
7,9-diethylbenzo[a]anthracene
CID 91740932

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9,10-dimethylanthracene;methane?
The IUPAC name of 2-ethyl-9,10-dimethylanthracene;methane (CID 157065860) is 2-ethyl-9,10-dimethylanthracene;methane.
What is the SMILES notation for 2-ethyl-9,10-dimethylanthracene;methane?
The canonical SMILES for 2-ethyl-9,10-dimethylanthracene;methane is C.CCc1ccc2c(C)c3ccccc3c(C)c2c1.
What is the InChIKey of 2-ethyl-9,10-dimethylanthracene;methane?
The InChIKey is ABWDCSDZEOPOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18.CH4/c1-4-14-9-10-17-12(2)15-7-5-6-8-16(15)13(3)18(17)11-14;/h5-11H,4H2,1-3H3;1H4.
What are the key properties of 2-ethyl-9,10-dimethylanthracene;methane?
2-ethyl-9,10-dimethylanthracene;methane has a molecular weight of 250.38 g/mol, XLogP of 5.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9,10-dimethylanthracene;methane is sourced from PubChem (CID 157065860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).