1-(2,2-dimethoxypropyl)perylene

C25H22O2 — CID 10546066

IUPAC1-(2,2-dimethoxypropyl)perylene
SMILESCOC(C)(Cc1ccc2cccc3c4cccc5cccc(c1c23)c54)OC
InChIInChI=1S/C25H22O2/c1-25(26-2,27-3)15-18-14-13-17-9-5-11-20-19-10-4-7-16-8-6-12-21(22(16)19)24(18)23(17)20/h4-14H,15H2,1-3H3
InChIKeyFCIWWZLPAAUWIB-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.29
Rot. Bonds4

About 1-(2,2-dimethoxypropyl)perylene

1-(2,2-dimethoxypropyl)perylene (PubChem CID 10546066) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(2,2-dimethoxypropyl)perylene.

Molecular Properties

Compound Name1-(2,2-dimethoxypropyl)perylene
PubChem CID10546066
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Name1-(2,2-dimethoxypropyl)perylene
SMILESCOC(C)(Cc1ccc2cccc3c4cccc5cccc(c1c23)c54)OC
InChIInChI=1S/C25H22O2/c1-25(26-2,27-3)15-18-14-13-17-9-5-11-20-19-10-4-7-16-8-6-12-21(22(16)19)24(18)23(17)20/h4-14H,15H2,1-3H3
InChIKeyFCIWWZLPAAUWIB-UHFFFAOYSA-N
XLogP6.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxypropyl)perylene?
The IUPAC name of 1-(2,2-dimethoxypropyl)perylene (CID 10546066) is 1-(2,2-dimethoxypropyl)perylene.
What is the SMILES notation for 1-(2,2-dimethoxypropyl)perylene?
The canonical SMILES for 1-(2,2-dimethoxypropyl)perylene is COC(C)(Cc1ccc2cccc3c4cccc5cccc(c1c23)c54)OC.
What is the InChIKey of 1-(2,2-dimethoxypropyl)perylene?
The InChIKey is FCIWWZLPAAUWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O2/c1-25(26-2,27-3)15-18-14-13-17-9-5-11-20-19-10-4-7-16-8-6-12-21(22(16)19)24(18)23(17)20/h4-14H,15H2,1-3H3.
What are the key properties of 1-(2,2-dimethoxypropyl)perylene?
1-(2,2-dimethoxypropyl)perylene has a molecular weight of 354.45 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxypropyl)perylene is sourced from PubChem (CID 10546066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).