2-methyl-1,2-dihydrotriphenylene

C19H16 — CID 145204096

IUPAC2-methyl-1,2-dihydrotriphenylene
SMILESCC1C=Cc2c(c3ccccc3c3ccccc23)C1
InChIInChI=1S/C19H16/c1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13/h2-11,13H,12H2,1H3
InChIKeyZPMFGPRZBKZRIW-UHFFFAOYSA-N
MW244.34 g/mol
LogP5.20
Rot. Bonds

About 2-methyl-1,2-dihydrotriphenylene

2-methyl-1,2-dihydrotriphenylene (PubChem CID 145204096) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-1,2-dihydrotriphenylene.

Molecular Properties

Compound Name2-methyl-1,2-dihydrotriphenylene
PubChem CID145204096
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Name2-methyl-1,2-dihydrotriphenylene
SMILESCC1C=Cc2c(c3ccccc3c3ccccc23)C1
InChIInChI=1S/C19H16/c1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13/h2-11,13H,12H2,1H3
InChIKeyZPMFGPRZBKZRIW-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.34
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2-dihydrotriphenylene?
The IUPAC name of 2-methyl-1,2-dihydrotriphenylene (CID 145204096) is 2-methyl-1,2-dihydrotriphenylene.
What is the SMILES notation for 2-methyl-1,2-dihydrotriphenylene?
The canonical SMILES for 2-methyl-1,2-dihydrotriphenylene is CC1C=Cc2c(c3ccccc3c3ccccc23)C1.
What is the InChIKey of 2-methyl-1,2-dihydrotriphenylene?
The InChIKey is ZPMFGPRZBKZRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16/c1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13/h2-11,13H,12H2,1H3.
What are the key properties of 2-methyl-1,2-dihydrotriphenylene?
2-methyl-1,2-dihydrotriphenylene has a molecular weight of 244.34 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2-dihydrotriphenylene is sourced from PubChem (CID 145204096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).