9-methoxy-12,12-dimethyl-5H-tetracene

C21H20O — CID 159569576

IUPAC9-methoxy-12,12-dimethyl-5H-tetracene
SMILESCOc1ccc2cc3c(cc2c1)C(C)(C)c1ccccc1C3
InChIInChI=1S/C21H20O/c1-21(2)19-7-5-4-6-15(19)11-17-10-14-8-9-18(22-3)12-16(14)13-20(17)21/h4-10,12-13H,11H2,1-3H3
InChIKeyVCMDYPKWJYRUAA-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.08
Rot. Bonds1

About 9-methoxy-12,12-dimethyl-5H-tetracene

9-methoxy-12,12-dimethyl-5H-tetracene (PubChem CID 159569576) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 9-methoxy-12,12-dimethyl-5H-tetracene.

Molecular Properties

Compound Name9-methoxy-12,12-dimethyl-5H-tetracene
PubChem CID159569576
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name9-methoxy-12,12-dimethyl-5H-tetracene
SMILESCOc1ccc2cc3c(cc2c1)C(C)(C)c1ccccc1C3
InChIInChI=1S/C21H20O/c1-21(2)19-7-5-4-6-15(19)11-17-10-14-8-9-18(22-3)12-16(14)13-20(17)21/h4-10,12-13H,11H2,1-3H3
InChIKeyVCMDYPKWJYRUAA-UHFFFAOYSA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-methoxy-12,12-dimethyl-5H-tetracene 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-methoxy-12,12-dimethyl-5H-tetracene?
The IUPAC name of 9-methoxy-12,12-dimethyl-5H-tetracene (CID 159569576) is 9-methoxy-12,12-dimethyl-5H-tetracene.
What is the SMILES notation for 9-methoxy-12,12-dimethyl-5H-tetracene?
The canonical SMILES for 9-methoxy-12,12-dimethyl-5H-tetracene is COc1ccc2cc3c(cc2c1)C(C)(C)c1ccccc1C3.
What is the InChIKey of 9-methoxy-12,12-dimethyl-5H-tetracene?
The InChIKey is VCMDYPKWJYRUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-21(2)19-7-5-4-6-15(19)11-17-10-14-8-9-18(22-3)12-16(14)13-20(17)21/h4-10,12-13H,11H2,1-3H3.
What are the key properties of 9-methoxy-12,12-dimethyl-5H-tetracene?
9-methoxy-12,12-dimethyl-5H-tetracene has a molecular weight of 288.39 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-12,12-dimethyl-5H-tetracene is sourced from PubChem (CID 159569576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).