1-methylanthracene

C15H12 — CID 11884

IUPAC1-methylanthracene
SMILESCc1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H12/c1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14/h2-10H,1H3
InChIKeyKZNJSFHJUQDYHE-UHFFFAOYSA-N
MW192.26 g/mol
LogP4.30
Rot. Bonds

About 1-methylanthracene

1-methylanthracene (PubChem CID 11884) has the molecular formula C15H12 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-methylanthracene.

Molecular Properties

Compound Name1-methylanthracene
PubChem CID11884
Molecular FormulaC15H12
Molecular Weight192.26 g/mol
Exact Mass192.09
IUPAC Name1-methylanthracene
SMILESCc1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H12/c1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14/h2-10H,1H3
InChIKeyKZNJSFHJUQDYHE-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 54.30
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-methylanthracene?
The IUPAC name of 1-methylanthracene (CID 11884) is 1-methylanthracene.
What is the SMILES notation for 1-methylanthracene?
The canonical SMILES for 1-methylanthracene is Cc1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-methylanthracene?
The InChIKey is KZNJSFHJUQDYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12/c1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14/h2-10H,1H3.
What are the key properties of 1-methylanthracene?
1-methylanthracene has a molecular weight of 192.26 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylanthracene is sourced from PubChem (CID 11884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).