9-tert-butyl-10-methylanthracene

C19H20 — CID 58161441

IUPAC9-tert-butyl-10-methylanthracene
SMILESCc1c2ccccc2c(C(C)(C)C)c2ccccc12
InChIInChI=1S/C19H20/c1-13-14-9-5-7-11-16(14)18(19(2,3)4)17-12-8-6-10-15(13)17/h5-12H,1-4H3
InChIKeyHALVYXMZJKFMOV-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.60
Rot. Bonds

About 9-tert-butyl-10-methylanthracene

9-tert-butyl-10-methylanthracene (PubChem CID 58161441) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 9-tert-butyl-10-methylanthracene.

Molecular Properties

Compound Name9-tert-butyl-10-methylanthracene
PubChem CID58161441
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name9-tert-butyl-10-methylanthracene
SMILESCc1c2ccccc2c(C(C)(C)C)c2ccccc12
InChIInChI=1S/C19H20/c1-13-14-9-5-7-11-16(14)18(19(2,3)4)17-12-8-6-10-15(13)17/h5-12H,1-4H3
InChIKeyHALVYXMZJKFMOV-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-tert-butyl-10-methylanthracene 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 9-tert-butyl-10-methylanthracene?
The IUPAC name of 9-tert-butyl-10-methylanthracene (CID 58161441) is 9-tert-butyl-10-methylanthracene.
What is the SMILES notation for 9-tert-butyl-10-methylanthracene?
The canonical SMILES for 9-tert-butyl-10-methylanthracene is Cc1c2ccccc2c(C(C)(C)C)c2ccccc12.
What is the InChIKey of 9-tert-butyl-10-methylanthracene?
The InChIKey is HALVYXMZJKFMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-13-14-9-5-7-11-16(14)18(19(2,3)4)17-12-8-6-10-15(13)17/h5-12H,1-4H3.
What are the key properties of 9-tert-butyl-10-methylanthracene?
9-tert-butyl-10-methylanthracene has a molecular weight of 248.37 g/mol, XLogP of 5.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-10-methylanthracene is sourced from PubChem (CID 58161441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).