9,10-dimethylanthracene

C16H14 — CID 13076

IUPAC9,10-dimethylanthracene
SMILESCc1c2ccccc2c(C)c2ccccc12
InChIInChI=1S/C16H14/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-10H,1-2H3
InChIKeyJTGMTYWYUZDRBK-UHFFFAOYSA-N
MW206.29 g/mol
LogP4.61
Rot. Bonds

About 9,10-dimethylanthracene

9,10-dimethylanthracene (PubChem CID 13076) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is 9,10-dimethylanthracene.

Molecular Properties

Compound Name9,10-dimethylanthracene
PubChem CID13076
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name9,10-dimethylanthracene
SMILESCc1c2ccccc2c(C)c2ccccc12
InChIInChI=1S/C16H14/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-10H,1-2H3
InChIKeyJTGMTYWYUZDRBK-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethylanthracene?
The IUPAC name of 9,10-dimethylanthracene (CID 13076) is 9,10-dimethylanthracene.
What is the SMILES notation for 9,10-dimethylanthracene?
The canonical SMILES for 9,10-dimethylanthracene is Cc1c2ccccc2c(C)c2ccccc12.
What is the InChIKey of 9,10-dimethylanthracene?
The InChIKey is JTGMTYWYUZDRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-10H,1-2H3.
What are the key properties of 9,10-dimethylanthracene?
9,10-dimethylanthracene has a molecular weight of 206.29 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethylanthracene is sourced from PubChem (CID 13076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).