2-(3-phenylnaphthalen-2-yl)acetaldehyde

C18H14O — CID 141482451

IUPAC2-(3-phenylnaphthalen-2-yl)acetaldehyde
SMILESO=CCc1cc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C18H14O/c19-11-10-17-12-15-8-4-5-9-16(15)13-18(17)14-6-2-1-3-7-14/h1-9,11-13H,10H2
InChIKeyUEWTXPFCWPDLSZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.25
Rot. Bonds3

About 2-(3-phenylnaphthalen-2-yl)acetaldehyde

2-(3-phenylnaphthalen-2-yl)acetaldehyde (PubChem CID 141482451) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3-phenylnaphthalen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-phenylnaphthalen-2-yl)acetaldehyde
PubChem CID141482451
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name2-(3-phenylnaphthalen-2-yl)acetaldehyde
SMILESO=CCc1cc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C18H14O/c19-11-10-17-12-15-8-4-5-9-16(15)13-18(17)14-6-2-1-3-7-14/h1-9,11-13H,10H2
InChIKeyUEWTXPFCWPDLSZ-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.25
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

2-[2-(4-phenylphenyl)phenyl]acetaldehyde
CID 87253874
2-(2-methylsulfanylethyl)-3-phenylnaphthalene
CID 91136874
2-naphthalen-1-ylacetaldehyde
CID 12570786
3-phenylnaphthalene-2-thiol
CID 91804304
2,3-bis(bromomethyl)-6,8-diphenylbenzo[7]annulen-7-one
CID 71676426
2-(2-phenyl-3-pyridinyl)acetaldehyde
CID 159707557
2-[2-(3-ethylphenyl)phenyl]acetaldehyde
CID 87253918
2-(1-chloronaphthalen-2-yl)acetaldehyde
CID 54518324
2-(5-phenylfuran-2-yl)acetaldehyde
CID 101495909
2-naphthalen-1-yl-3-phenylanthracene
CID 123533450
2-phenylazulene-1-carbaldehyde
CID 102378835
lithium;hydride;2-phenylacetaldehyde
CID 173089556

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylnaphthalen-2-yl)acetaldehyde?
The IUPAC name of 2-(3-phenylnaphthalen-2-yl)acetaldehyde (CID 141482451) is 2-(3-phenylnaphthalen-2-yl)acetaldehyde.
What is the SMILES notation for 2-(3-phenylnaphthalen-2-yl)acetaldehyde?
The canonical SMILES for 2-(3-phenylnaphthalen-2-yl)acetaldehyde is O=CCc1cc2ccccc2cc1-c1ccccc1.
What is the InChIKey of 2-(3-phenylnaphthalen-2-yl)acetaldehyde?
The InChIKey is UEWTXPFCWPDLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c19-11-10-17-12-15-8-4-5-9-16(15)13-18(17)14-6-2-1-3-7-14/h1-9,11-13H,10H2.
What are the key properties of 2-(3-phenylnaphthalen-2-yl)acetaldehyde?
2-(3-phenylnaphthalen-2-yl)acetaldehyde has a molecular weight of 246.31 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylnaphthalen-2-yl)acetaldehyde is sourced from PubChem (CID 141482451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).