2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde

C25H20O3 — CID 22687128

IUPAC2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCCOc2ccccc2-c2ccccc2)ccc2ccccc12
InChIInChI=1S/C25H20O3/c26-18-23-21-11-5-4-10-20(21)14-15-25(23)28-17-16-27-24-13-7-6-12-22(24)19-8-2-1-3-9-19/h1-15,18H,16-17H2
InChIKeyQBCUYXHWDQEENC-UHFFFAOYSA-N
MW368.43 g/mol
LogP5.78
Rot. Bonds7

About 2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde

2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde (PubChem CID 22687128) has the molecular formula C25H20O3 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde
PubChem CID22687128
Molecular FormulaC25H20O3
Molecular Weight368.43 g/mol
Exact Mass368.14
IUPAC Name2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCCOc2ccccc2-c2ccccc2)ccc2ccccc12
InChIInChI=1S/C25H20O3/c26-18-23-21-11-5-4-10-20(21)14-15-25(23)28-17-16-27-24-13-7-6-12-22(24)19-8-2-1-3-9-19/h1-15,18H,16-17H2
InChIKeyQBCUYXHWDQEENC-UHFFFAOYSA-N
XLogP5.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262
2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde
CID 62228685
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde
CID 54794930
2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde
CID 20993434
4-(1-formylnaphthalen-2-yl)oxybutanenitrile
CID 43389591
2-(3-methylsulfanylpropoxy)naphthalene-1-carbaldehyde
CID 115659116
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde
CID 22681141
3-(1-formylnaphthalen-2-yl)oxy-N-methylpropanamide
CID 62326134
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 27919131
2-naphthalen-1-yl-6-phenylbenzaldehyde
CID 90885229
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde?
The IUPAC name of 2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde (CID 22687128) is 2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde is O=Cc1c(OCCOc2ccccc2-c2ccccc2)ccc2ccccc12.
What is the InChIKey of 2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde?
The InChIKey is QBCUYXHWDQEENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O3/c26-18-23-21-11-5-4-10-20(21)14-15-25(23)28-17-16-27-24-13-7-6-12-22(24)19-8-2-1-3-9-19/h1-15,18H,16-17H2.
What are the key properties of 2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde?
2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde has a molecular weight of 368.43 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde is sourced from PubChem (CID 22687128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).