2-anthracen-1-ylpentanal

C19H18O — CID 173287359

IUPAC2-anthracen-1-ylpentanal
SMILESCCCC(C=O)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H18O/c1-2-6-17(13-20)18-10-5-9-16-11-14-7-3-4-8-15(14)12-19(16)18/h3-5,7-13,17H,2,6H2,1H3
InChIKeyJOBMMFIPZHDPRH-UHFFFAOYSA-N
MW262.35 g/mol
LogP5.08
Rot. Bonds4

About 2-anthracen-1-ylpentanal

2-anthracen-1-ylpentanal (PubChem CID 173287359) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-anthracen-1-ylpentanal.

Molecular Properties

Compound Name2-anthracen-1-ylpentanal
PubChem CID173287359
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name2-anthracen-1-ylpentanal
SMILESCCCC(C=O)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H18O/c1-2-6-17(13-20)18-10-5-9-16-11-14-7-3-4-8-15(14)12-19(16)18/h3-5,7-13,17H,2,6H2,1H3
InChIKeyJOBMMFIPZHDPRH-UHFFFAOYSA-N
XLogP5.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.35
LogP ≤ 55.08
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'}

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Related Compounds

2-anthracen-1-ylpropanal
CID 123532907
1-tridecan-7-ylanthracene
CID 150514951
1-ethylanthracene;formic acid
CID 175485335
1-penta-1,4-dien-3-ylanthracene
CID 21275728
1,5-bis(1-chloropentyl)anthracene
CID 175255597
2-anthracen-1-ylpropanoic acid
CID 57031488
[anthracen-1-yl(carboxy)methyl]-methyliodanium
CID 18671184
1-[(3S)-non-1-en-3-yl]naphthalene
CID 102346574
1-[(E)-pent-1-enyl]anthracene
CID 173041440
(1S)-1-phenanthren-9-ylbutan-1-amine
CID 171232433
2-naphthalen-1-ylpentanoate
CID 154825316
2-(2,3-dimethoxyphenyl)butanal
CID 24973232

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-1-ylpentanal?
The IUPAC name of 2-anthracen-1-ylpentanal (CID 173287359) is 2-anthracen-1-ylpentanal.
What is the SMILES notation for 2-anthracen-1-ylpentanal?
The canonical SMILES for 2-anthracen-1-ylpentanal is CCCC(C=O)c1cccc2cc3ccccc3cc12.
What is the InChIKey of 2-anthracen-1-ylpentanal?
The InChIKey is JOBMMFIPZHDPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-2-6-17(13-20)18-10-5-9-16-11-14-7-3-4-8-15(14)12-19(16)18/h3-5,7-13,17H,2,6H2,1H3.
What are the key properties of 2-anthracen-1-ylpentanal?
2-anthracen-1-ylpentanal has a molecular weight of 262.35 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-1-ylpentanal is sourced from PubChem (CID 173287359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).