6-methoxychrysene

C19H14O — CID 12935769

IUPAC6-methoxychrysene
SMILESCOc1cc2c3ccccc3ccc2c2ccccc12
InChIInChI=1S/C19H14O/c1-20-19-12-18-14-7-3-2-6-13(14)10-11-16(18)15-8-4-5-9-17(15)19/h2-12H,1H3
InChIKeyZIWAHVVMLWHLPD-UHFFFAOYSA-N
MW258.32 g/mol
LogP5.15
Rot. Bonds1

About 6-methoxychrysene

6-methoxychrysene (PubChem CID 12935769) has the molecular formula C19H14O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-methoxychrysene.

Molecular Properties

Compound Name6-methoxychrysene
PubChem CID12935769
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name6-methoxychrysene
SMILESCOc1cc2c3ccccc3ccc2c2ccccc12
InChIInChI=1S/C19H14O/c1-20-19-12-18-14-7-3-2-6-13(14)10-11-16(18)15-8-4-5-9-17(15)19/h2-12H,1H3
InChIKeyZIWAHVVMLWHLPD-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.32
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-methoxychrysene?
The IUPAC name of 6-methoxychrysene (CID 12935769) is 6-methoxychrysene.
What is the SMILES notation for 6-methoxychrysene?
The canonical SMILES for 6-methoxychrysene is COc1cc2c3ccccc3ccc2c2ccccc12.
What is the InChIKey of 6-methoxychrysene?
The InChIKey is ZIWAHVVMLWHLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O/c1-20-19-12-18-14-7-3-2-6-13(14)10-11-16(18)15-8-4-5-9-17(15)19/h2-12H,1H3.
What are the key properties of 6-methoxychrysene?
6-methoxychrysene has a molecular weight of 258.32 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxychrysene is sourced from PubChem (CID 12935769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).