ethane;9-methyl-10-propylanthracene

C22H30 — CID 144649779

IUPACethane;9-methyl-10-propylanthracene
SMILESCC.CC.CCCc1c2ccccc2c(C)c2ccccc12
InChIInChI=1S/C18H18.2C2H6/c1-3-8-16-17-11-6-4-9-14(17)13(2)15-10-5-7-12-18(15)16;2*1-2/h4-7,9-12H,3,8H2,1-2H3;2*1-2H3
InChIKeyZQOVFKVOBQFYPY-UHFFFAOYSA-N
MW294.48 g/mol
LogP7.31
Rot. Bonds2

About ethane;9-methyl-10-propylanthracene

ethane;9-methyl-10-propylanthracene (PubChem CID 144649779) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is ethane;9-methyl-10-propylanthracene.

Molecular Properties

Compound Nameethane;9-methyl-10-propylanthracene
PubChem CID144649779
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Nameethane;9-methyl-10-propylanthracene
SMILESCC.CC.CCCc1c2ccccc2c(C)c2ccccc12
InChIInChI=1S/C18H18.2C2H6/c1-3-8-16-17-11-6-4-9-14(17)13(2)15-10-5-7-12-18(15)16;2*1-2/h4-7,9-12H,3,8H2,1-2H3;2*1-2H3
InChIKeyZQOVFKVOBQFYPY-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;9-methyl-10-propylanthracene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;9-methyl-10-propylanthracene?
The IUPAC name of ethane;9-methyl-10-propylanthracene (CID 144649779) is ethane;9-methyl-10-propylanthracene.
What is the SMILES notation for ethane;9-methyl-10-propylanthracene?
The canonical SMILES for ethane;9-methyl-10-propylanthracene is CC.CC.CCCc1c2ccccc2c(C)c2ccccc12.
What is the InChIKey of ethane;9-methyl-10-propylanthracene?
The InChIKey is ZQOVFKVOBQFYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18.2C2H6/c1-3-8-16-17-11-6-4-9-14(17)13(2)15-10-5-7-12-18(15)16;2*1-2/h4-7,9-12H,3,8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;9-methyl-10-propylanthracene?
ethane;9-methyl-10-propylanthracene has a molecular weight of 294.48 g/mol, XLogP of 7.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-10-propylanthracene is sourced from PubChem (CID 144649779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).