5-methylchrysene

C19H14 — CID 19427

IUPAC5-methylchrysene
SMILESCc1cc2ccccc2c2ccc3ccccc3c12
InChIInChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3
InChIKeyGOHBXWHNJHENRX-UHFFFAOYSA-N
MW242.32 g/mol
LogP5.45
Rot. Bonds

About 5-methylchrysene

5-methylchrysene (PubChem CID 19427) has the molecular formula C19H14 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-methylchrysene.

Molecular Properties

Compound Name5-methylchrysene
PubChem CID19427
Molecular FormulaC19H14
Molecular Weight242.32 g/mol
Exact Mass242.11
IUPAC Name5-methylchrysene
SMILESCc1cc2ccccc2c2ccc3ccccc3c12
InChIInChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3
InChIKeyGOHBXWHNJHENRX-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_3', 'substructure': 'N/A'}

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Related Compounds

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Indeno(1,2,3-cd)pyrene
CID 9131
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154

Frequently Asked Questions

What is the IUPAC name of 5-methylchrysene?
The IUPAC name of 5-methylchrysene (CID 19427) is 5-methylchrysene.
What is the SMILES notation for 5-methylchrysene?
The canonical SMILES for 5-methylchrysene is Cc1cc2ccccc2c2ccc3ccccc3c12.
What is the InChIKey of 5-methylchrysene?
The InChIKey is GOHBXWHNJHENRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3.
What are the key properties of 5-methylchrysene?
5-methylchrysene 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 5-methylchrysene is sourced from PubChem (CID 19427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).