7-methylbenzo[a]anthracene

C19H14 — CID 17347

IUPAC7-methylbenzo[a]anthracene
SMILESCc1c2ccccc2cc2c1ccc1ccccc12
InChIInChI=1S/C19H14/c1-13-16-8-4-3-7-15(16)12-19-17(13)11-10-14-6-2-5-9-18(14)19/h2-12H,1H3
InChIKeyDIIFUCUPDHMNIV-UHFFFAOYSA-N
MW242.32 g/mol
LogP5.45
Rot. Bonds

About 7-methylbenzo[a]anthracene

7-methylbenzo[a]anthracene (PubChem CID 17347) has the molecular formula C19H14 and a molecular weight of 242.32 g/mol. Its IUPAC name is 7-methylbenzo[a]anthracene.

Molecular Properties

Compound Name7-methylbenzo[a]anthracene
PubChem CID17347
Molecular FormulaC19H14
Molecular Weight242.32 g/mol
Exact Mass242.11
IUPAC Name7-methylbenzo[a]anthracene
SMILESCc1c2ccccc2cc2c1ccc1ccccc12
InChIInChI=1S/C19H14/c1-13-16-8-4-3-7-15(16)12-19-17(13)11-10-14-6-2-5-9-18(14)19/h2-12H,1H3
InChIKeyDIIFUCUPDHMNIV-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.32
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methylbenzo[a]anthracene?
The IUPAC name of 7-methylbenzo[a]anthracene (CID 17347) is 7-methylbenzo[a]anthracene.
What is the SMILES notation for 7-methylbenzo[a]anthracene?
The canonical SMILES for 7-methylbenzo[a]anthracene is Cc1c2ccccc2cc2c1ccc1ccccc12.
What is the InChIKey of 7-methylbenzo[a]anthracene?
The InChIKey is DIIFUCUPDHMNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14/c1-13-16-8-4-3-7-15(16)12-19-17(13)11-10-14-6-2-5-9-18(14)19/h2-12H,1H3.
What are the key properties of 7-methylbenzo[a]anthracene?
7-methylbenzo[a]anthracene has a molecular weight of 242.32 g/mol, XLogP of 5.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylbenzo[a]anthracene is sourced from PubChem (CID 17347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).