2-naphthalen-1-ylacetaldehyde

C12H10O — CID 12570786

IUPAC2-naphthalen-1-ylacetaldehyde
SMILESO=CCc1cccc2ccccc12
InChIInChI=1S/C12H10O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2
InChIKeyCCHAJZURXPPHJU-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.58
Rot. Bonds2

About 2-naphthalen-1-ylacetaldehyde

2-naphthalen-1-ylacetaldehyde (PubChem CID 12570786) has the molecular formula C12H10O and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-naphthalen-1-ylacetaldehyde.

Molecular Properties

Compound Name2-naphthalen-1-ylacetaldehyde
PubChem CID12570786
Molecular FormulaC12H10O
Molecular Weight170.21 g/mol
Exact Mass170.07
IUPAC Name2-naphthalen-1-ylacetaldehyde
SMILESO=CCc1cccc2ccccc12
InChIInChI=1S/C12H10O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2
InChIKeyCCHAJZURXPPHJU-UHFFFAOYSA-N
XLogP2.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
2-(1-chloronaphthalen-2-yl)acetaldehyde
CID 54518324
2-perylen-1-ylacetaldehyde
CID 152750070
N-methoxy-2-naphthalen-1-ylethanimine
CID 141496907
carbonic acid;formaldehyde;1-prop-2-enylnaphthalene
CID 175360952
azane;1-ethylnaphthalene
CID 19048185
formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid
CID 70221186
CID 66760372
CID 66760372
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
2-[2-(aminomethyl)phenyl]acetaldehyde
CID 20545258
sodium;1-ethylnaphthalene;hydride
CID 174300793
2-methyl-4-naphthalen-1-ylbut-2-enamide
CID 67637200

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylacetaldehyde?
The IUPAC name of 2-naphthalen-1-ylacetaldehyde (CID 12570786) is 2-naphthalen-1-ylacetaldehyde.
What is the SMILES notation for 2-naphthalen-1-ylacetaldehyde?
The canonical SMILES for 2-naphthalen-1-ylacetaldehyde is O=CCc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylacetaldehyde?
The InChIKey is CCHAJZURXPPHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2.
What are the key properties of 2-naphthalen-1-ylacetaldehyde?
2-naphthalen-1-ylacetaldehyde has a molecular weight of 170.21 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylacetaldehyde is sourced from PubChem (CID 12570786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).