1-(prop-2-enoxymethyl)pyrene

C20H16O — CID 15180727

IUPAC1-(prop-2-enoxymethyl)pyrene
SMILESC=CCOCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C20H16O/c1-2-12-21-13-17-9-8-16-7-6-14-4-3-5-15-10-11-18(17)20(16)19(14)15/h2-11H,1,12-13H2
InChIKeyGJLPEDZGSOMQDO-UHFFFAOYSA-N
MW272.35 g/mol
LogP5.29
Rot. Bonds4

About 1-(prop-2-enoxymethyl)pyrene

1-(prop-2-enoxymethyl)pyrene (PubChem CID 15180727) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(prop-2-enoxymethyl)pyrene.

Molecular Properties

Compound Name1-(prop-2-enoxymethyl)pyrene
PubChem CID15180727
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name1-(prop-2-enoxymethyl)pyrene
SMILESC=CCOCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C20H16O/c1-2-12-21-13-17-9-8-16-7-6-14-4-3-5-15-10-11-18(17)20(16)19(14)15/h2-11H,1,12-13H2
InChIKeyGJLPEDZGSOMQDO-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.35
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(methoxymethyl)-2-prop-2-enylpent-4-enoxy]methyl]pyrene
CID 102449670
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CID 102109995
ethane;1-(methoxymethyl)pyrene
CID 160555515
1-(pyren-1-ylmethoxy)propan-2-ol
CID 174567671
1-[[4-(anthracen-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrene
CID 174996833
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CID 58590320
6-(pyren-1-ylmethoxy)hexan-1-amine
CID 59846991
pyren-1-ylmethyl dihydrogen phosphate
CID 87084266
1-[4-(4-pyren-1-ylbutoxy)butyl]pyrene
CID 123848132
bis(pyren-1-ylmethanamine);dihydrochloride
CID 159102456
1-(22-pyren-1-yldocosyl)pyrene
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1-(7-pyren-1-ylheptyl)pyrene
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Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enoxymethyl)pyrene?
The IUPAC name of 1-(prop-2-enoxymethyl)pyrene (CID 15180727) is 1-(prop-2-enoxymethyl)pyrene.
What is the SMILES notation for 1-(prop-2-enoxymethyl)pyrene?
The canonical SMILES for 1-(prop-2-enoxymethyl)pyrene is C=CCOCc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of 1-(prop-2-enoxymethyl)pyrene?
The InChIKey is GJLPEDZGSOMQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O/c1-2-12-21-13-17-9-8-16-7-6-14-4-3-5-15-10-11-18(17)20(16)19(14)15/h2-11H,1,12-13H2.
What are the key properties of 1-(prop-2-enoxymethyl)pyrene?
1-(prop-2-enoxymethyl)pyrene has a molecular weight of 272.35 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enoxymethyl)pyrene is sourced from PubChem (CID 15180727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).