1,6-dimethylanthracene;ethane

C18H20 — CID 142009331

IUPAC1,6-dimethylanthracene;ethane
SMILESCC.Cc1ccc2cc3c(C)cccc3cc2c1
InChIInChI=1S/C16H14.C2H6/c1-11-6-7-13-10-16-12(2)4-3-5-14(16)9-15(13)8-11;1-2/h3-10H,1-2H3;1-2H3
InChIKeyUORIDUXUQPRXOP-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.64
Rot. Bonds

About 1,6-dimethylanthracene;ethane

1,6-dimethylanthracene;ethane (PubChem CID 142009331) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1,6-dimethylanthracene;ethane.

Molecular Properties

Compound Name1,6-dimethylanthracene;ethane
PubChem CID142009331
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1,6-dimethylanthracene;ethane
SMILESCC.Cc1ccc2cc3c(C)cccc3cc2c1
InChIInChI=1S/C16H14.C2H6/c1-11-6-7-13-10-16-12(2)4-3-5-14(16)9-15(13)8-11;1-2/h3-10H,1-2H3;1-2H3
InChIKeyUORIDUXUQPRXOP-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,6-dimethylanthracene;ethane 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

3-methylheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7,9,11(35),12,14,16(34),17(33),18,20,22(32),23,25,27(31),28-octadecaene
CID 171043844
1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene
CID 143742447
7-methyl-1-propan-2-ylanthracene
CID 144739282
2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,3-xylene;1,4-xylene
CID 157392918
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;bis(1-methylnaphthalene);bis(2-methylnaphthalene)
CID 159884884
1,4-dimethylanthracene;2,6-dimethylanthracene;9,10-dimethylanthracene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene;ethane
CID 161265902
2,9-dimethylpentacene
CID 11460950
1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene
CID 161395588
2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,2-xylene;1,3-xylene;1,4-xylene
CID 162072402
2-methylnaphthalene;1,2-xylene
CID 142041411
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,2-xylene;1,3-xylene;1,4-xylene
CID 158627561
1-methyl-7-propylanthracene
CID 174764021

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylanthracene;ethane?
The IUPAC name of 1,6-dimethylanthracene;ethane (CID 142009331) is 1,6-dimethylanthracene;ethane.
What is the SMILES notation for 1,6-dimethylanthracene;ethane?
The canonical SMILES for 1,6-dimethylanthracene;ethane is CC.Cc1ccc2cc3c(C)cccc3cc2c1.
What is the InChIKey of 1,6-dimethylanthracene;ethane?
The InChIKey is UORIDUXUQPRXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.C2H6/c1-11-6-7-13-10-16-12(2)4-3-5-14(16)9-15(13)8-11;1-2/h3-10H,1-2H3;1-2H3.
What are the key properties of 1,6-dimethylanthracene;ethane?
1,6-dimethylanthracene;ethane has a molecular weight of 236.36 g/mol, XLogP of 5.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylanthracene;ethane is sourced from PubChem (CID 142009331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).