2-(2-phenylethoxy)naphthalene-1-carbaldehyde

C19H16O2 — CID 22687262

IUPAC2-(2-phenylethoxy)naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C19H16O2/c20-14-18-17-9-5-4-8-16(17)10-11-19(18)21-13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2
InChIKeyUUUYQMLPVGDYJV-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.27
Rot. Bonds5

About 2-(2-phenylethoxy)naphthalene-1-carbaldehyde

2-(2-phenylethoxy)naphthalene-1-carbaldehyde (PubChem CID 22687262) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2-phenylethoxy)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(2-phenylethoxy)naphthalene-1-carbaldehyde
PubChem CID22687262
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name2-(2-phenylethoxy)naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C19H16O2/c20-14-18-17-9-5-4-8-16(17)10-11-19(18)21-13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2
InChIKeyUUUYQMLPVGDYJV-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine
CID 20990812
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde
CID 22687128
2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde
CID 62228685
2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde
CID 20993434
2-(3-methylsulfanylpropoxy)naphthalene-1-carbaldehyde
CID 115659116
4-(1-formylnaphthalen-2-yl)oxybutanenitrile
CID 43389591
5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 87330983
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704
2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde
CID 54794930
3-(1-formylnaphthalen-2-yl)oxy-N-methylpropanamide
CID 62326134
N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763182

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethoxy)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(2-phenylethoxy)naphthalene-1-carbaldehyde (CID 22687262) is 2-(2-phenylethoxy)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(2-phenylethoxy)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(2-phenylethoxy)naphthalene-1-carbaldehyde is O=Cc1c(OCCc2ccccc2)ccc2ccccc12.
What is the InChIKey of 2-(2-phenylethoxy)naphthalene-1-carbaldehyde?
The InChIKey is UUUYQMLPVGDYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c20-14-18-17-9-5-4-8-16(17)10-11-19(18)21-13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2.
What are the key properties of 2-(2-phenylethoxy)naphthalene-1-carbaldehyde?
2-(2-phenylethoxy)naphthalene-1-carbaldehyde has a molecular weight of 276.34 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethoxy)naphthalene-1-carbaldehyde is sourced from PubChem (CID 22687262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).