9-butyl-10-methylanthracene

C19H20 — CID 22754688

IUPAC9-butyl-10-methylanthracene
SMILESCCCCc1c2ccccc2c(C)c2ccccc12
InChIInChI=1S/C19H20/c1-3-4-9-19-17-12-7-5-10-15(17)14(2)16-11-6-8-13-18(16)19/h5-8,10-13H,3-4,9H2,1-2H3
InChIKeyXACAHLSFQIYNOX-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.64
Rot. Bonds3

About 9-butyl-10-methylanthracene

9-butyl-10-methylanthracene (PubChem CID 22754688) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 9-butyl-10-methylanthracene.

Molecular Properties

Compound Name9-butyl-10-methylanthracene
PubChem CID22754688
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name9-butyl-10-methylanthracene
SMILESCCCCc1c2ccccc2c(C)c2ccccc12
InChIInChI=1S/C19H20/c1-3-4-9-19-17-12-7-5-10-15(17)14(2)16-11-6-8-13-18(16)19/h5-8,10-13H,3-4,9H2,1-2H3
InChIKeyXACAHLSFQIYNOX-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
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 9-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

Related Compounds

9,10-dibutylanthracene
CID 605822
ethane;9-methyl-10-propylanthracene
CID 144649779
1,2,3,4,6,11-hexabutyltetracene
CID 102079773
[3-(10-Methylanthracen-9-YL)propyl]silane
CID 78060770
6,11-dibutyl-1,2,3,4-tetraethyltetracene
CID 58766221
2,3-diethyl-1-methyl-4-propylnaphthalene
CID 139700920
CID 90280951
CID 90280951
9-(2-fluoroethyl)-10-methylanthracene
CID 13283739
9-butylacridine
CID 606127
9-bromo-10-hexylanthracene
CID 141284839
N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine
CID 170865143
2,3-diethyl-1,4-dimethylnaphthalene
CID 59270753

Frequently Asked Questions

What is the IUPAC name of 9-butyl-10-methylanthracene?
The IUPAC name of 9-butyl-10-methylanthracene (CID 22754688) is 9-butyl-10-methylanthracene.
What is the SMILES notation for 9-butyl-10-methylanthracene?
The canonical SMILES for 9-butyl-10-methylanthracene is CCCCc1c2ccccc2c(C)c2ccccc12.
What is the InChIKey of 9-butyl-10-methylanthracene?
The InChIKey is XACAHLSFQIYNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-3-4-9-19-17-12-7-5-10-15(17)14(2)16-11-6-8-13-18(16)19/h5-8,10-13H,3-4,9H2,1-2H3.
What are the key properties of 9-butyl-10-methylanthracene?
9-butyl-10-methylanthracene has a molecular weight of 248.37 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-10-methylanthracene is sourced from PubChem (CID 22754688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).