2-anthracen-1-ylpropanal

C17H14O — CID 123532907

IUPAC2-anthracen-1-ylpropanal
SMILESCC(C=O)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C17H14O/c1-12(11-18)16-8-4-7-15-9-13-5-2-3-6-14(13)10-17(15)16/h2-12H,1H3
InChIKeyQTCSCISBHBKOHI-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.30
Rot. Bonds2

About 2-anthracen-1-ylpropanal

2-anthracen-1-ylpropanal (PubChem CID 123532907) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-anthracen-1-ylpropanal.

Molecular Properties

Compound Name2-anthracen-1-ylpropanal
PubChem CID123532907
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name2-anthracen-1-ylpropanal
SMILESCC(C=O)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C17H14O/c1-12(11-18)16-8-4-7-15-9-13-5-2-3-6-14(13)10-17(15)16/h2-12H,1H3
InChIKeyQTCSCISBHBKOHI-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.30
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-ylpentanal
CID 173287359
2-anthracen-1-ylpropanoic acid
CID 57031488
1-penta-1,4-dien-3-ylanthracene
CID 21275728
2-(1-aminonaphthalen-2-yl)propanal
CID 174544032
1-anthracen-1-ylethyl 2,2-dimethylpropanoate
CID 148923843
[anthracen-1-yl(carboxy)methyl]-methyliodanium
CID 18671184
7-methyl-1-propan-2-ylanthracene
CID 144739282
anthracene;2-methylpropane
CID 142471530
2-[2,3-bis(sulfanyl)phenyl]propanal
CID 134639273
1-(3-tetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)ethyl formate
CID 174467896
(2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal
CID 141427213
2-[3-(difluoromethyl)-2-ethoxyphenyl]propanal
CID 134639454

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-1-ylpropanal?
The IUPAC name of 2-anthracen-1-ylpropanal (CID 123532907) is 2-anthracen-1-ylpropanal.
What is the SMILES notation for 2-anthracen-1-ylpropanal?
The canonical SMILES for 2-anthracen-1-ylpropanal is CC(C=O)c1cccc2cc3ccccc3cc12.
What is the InChIKey of 2-anthracen-1-ylpropanal?
The InChIKey is QTCSCISBHBKOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c1-12(11-18)16-8-4-7-15-9-13-5-2-3-6-14(13)10-17(15)16/h2-12H,1H3.
What are the key properties of 2-anthracen-1-ylpropanal?
2-anthracen-1-ylpropanal has a molecular weight of 234.30 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-1-ylpropanal is sourced from PubChem (CID 123532907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).