2-perylen-1-ylacetaldehyde

C22H14O — CID 152750070

IUPAC2-perylen-1-ylacetaldehyde
SMILESO=CCc1ccc2cccc3c4cccc5cccc(c1c23)c54
InChIInChI=1S/C22H14O/c23-13-12-16-11-10-15-6-2-8-18-17-7-1-4-14-5-3-9-19(20(14)17)22(16)21(15)18/h1-11,13H,12H2
InChIKeySPXGYBUXILJHTK-UHFFFAOYSA-N
MW294.35 g/mol
LogP5.48
Rot. Bonds2

About 2-perylen-1-ylacetaldehyde

2-perylen-1-ylacetaldehyde (PubChem CID 152750070) has the molecular formula C22H14O and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-perylen-1-ylacetaldehyde.

Molecular Properties

Compound Name2-perylen-1-ylacetaldehyde
PubChem CID152750070
Molecular FormulaC22H14O
Molecular Weight294.35 g/mol
Exact Mass294.10
IUPAC Name2-perylen-1-ylacetaldehyde
SMILESO=CCc1ccc2cccc3c4cccc5cccc(c1c23)c54
InChIInChI=1S/C22H14O/c23-13-12-16-11-10-15-6-2-8-18-17-7-1-4-14-5-3-9-19(20(14)17)22(16)21(15)18/h1-11,13H,12H2
InChIKeySPXGYBUXILJHTK-UHFFFAOYSA-N
XLogP5.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.35
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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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Related Compounds

2-perylen-1-ylacetic acid
CID 161167078
2-naphthalen-1-ylacetaldehyde
CID 12570786
2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde
CID 19065702
2-(1-chloronaphthalen-2-yl)acetaldehyde
CID 54518324
1-(2,2-dimethoxypropyl)perylene
CID 10546066
perylen-1-yl formate
CID 57302051
decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516
2-(8-propan-2-ylnaphthalen-1-yl)acetaldehyde
CID 172627753
benzo[e]pyrene
CID 9128
2-methylidene-5-perylen-1-ylpentanoic acid
CID 21072195
1-[(3-methylphenyl)methyl]perylene
CID 151879592
(Z)-18-perylen-1-yloctadec-9-en-1-amine
CID 155490850

Frequently Asked Questions

What is the IUPAC name of 2-perylen-1-ylacetaldehyde?
The IUPAC name of 2-perylen-1-ylacetaldehyde (CID 152750070) is 2-perylen-1-ylacetaldehyde.
What is the SMILES notation for 2-perylen-1-ylacetaldehyde?
The canonical SMILES for 2-perylen-1-ylacetaldehyde is O=CCc1ccc2cccc3c4cccc5cccc(c1c23)c54.
What is the InChIKey of 2-perylen-1-ylacetaldehyde?
The InChIKey is SPXGYBUXILJHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O/c23-13-12-16-11-10-15-6-2-8-18-17-7-1-4-14-5-3-9-19(20(14)17)22(16)21(15)18/h1-11,13H,12H2.
What are the key properties of 2-perylen-1-ylacetaldehyde?
2-perylen-1-ylacetaldehyde has a molecular weight of 294.35 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-perylen-1-ylacetaldehyde is sourced from PubChem (CID 152750070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).