1,2,3-trimethylanthracene

C17H16 — CID 3034428

IUPAC1,2,3-trimethylanthracene
SMILESCc1cc2cc3ccccc3cc2c(C)c1C
InChIInChI=1S/C17H16/c1-11-8-16-9-14-6-4-5-7-15(14)10-17(16)13(3)12(11)2/h4-10H,1-3H3
InChIKeyDSJRHOQVDNQXEX-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.92
Rot. Bonds

About 1,2,3-trimethylanthracene

1,2,3-trimethylanthracene (PubChem CID 3034428) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1,2,3-trimethylanthracene.

Molecular Properties

Compound Name1,2,3-trimethylanthracene
PubChem CID3034428
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name1,2,3-trimethylanthracene
SMILESCc1cc2cc3ccccc3cc2c(C)c1C
InChIInChI=1S/C17H16/c1-11-8-16-9-14-6-4-5-7-15(14)10-17(16)13(3)12(11)2/h4-10H,1-3H3
InChIKeyDSJRHOQVDNQXEX-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.92
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 1,2,3-trimethylanthracene?
The IUPAC name of 1,2,3-trimethylanthracene (CID 3034428) is 1,2,3-trimethylanthracene.
What is the SMILES notation for 1,2,3-trimethylanthracene?
The canonical SMILES for 1,2,3-trimethylanthracene is Cc1cc2cc3ccccc3cc2c(C)c1C.
What is the InChIKey of 1,2,3-trimethylanthracene?
The InChIKey is DSJRHOQVDNQXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-11-8-16-9-14-6-4-5-7-15(14)10-17(16)13(3)12(11)2/h4-10H,1-3H3.
What are the key properties of 1,2,3-trimethylanthracene?
1,2,3-trimethylanthracene has a molecular weight of 220.31 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylanthracene is sourced from PubChem (CID 3034428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).