1-(methoxymethyl)pyrene

C18H14O — CID 612098

IUPAC1-(methoxymethyl)pyrene
SMILESCOCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C18H14O/c1-19-11-15-8-7-14-6-5-12-3-2-4-13-9-10-16(15)18(14)17(12)13/h2-10H,11H2,1H3
InChIKeyOJCHPCJKMZJQFZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.73
Rot. Bonds2

About 1-(methoxymethyl)pyrene

1-(methoxymethyl)pyrene (PubChem CID 612098) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(methoxymethyl)pyrene.

Molecular Properties

Compound Name1-(methoxymethyl)pyrene
PubChem CID612098
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name1-(methoxymethyl)pyrene
SMILESCOCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C18H14O/c1-19-11-15-8-7-14-6-5-12-3-2-4-13-9-10-16(15)18(14)17(12)13/h2-10H,11H2,1H3
InChIKeyOJCHPCJKMZJQFZ-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.73
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 1-(methoxymethyl)pyrene?
The IUPAC name of 1-(methoxymethyl)pyrene (CID 612098) is 1-(methoxymethyl)pyrene.
What is the SMILES notation for 1-(methoxymethyl)pyrene?
The canonical SMILES for 1-(methoxymethyl)pyrene is COCc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of 1-(methoxymethyl)pyrene?
The InChIKey is OJCHPCJKMZJQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c1-19-11-15-8-7-14-6-5-12-3-2-4-13-9-10-16(15)18(14)17(12)13/h2-10H,11H2,1H3.
What are the key properties of 1-(methoxymethyl)pyrene?
1-(methoxymethyl)pyrene has a molecular weight of 246.31 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)pyrene is sourced from PubChem (CID 612098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).