4-naphthalen-1-yloxybenzaldehyde

C17H12O2 — CID 19069208

IUPAC4-naphthalen-1-yloxybenzaldehyde
SMILESO=Cc1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C17H12O2/c18-12-13-8-10-15(11-9-13)19-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H
InChIKeyXJWPLZZRLKJFLX-UHFFFAOYSA-N
MW248.28 g/mol
LogP4.44
Rot. Bonds3

About 4-naphthalen-1-yloxybenzaldehyde

4-naphthalen-1-yloxybenzaldehyde (PubChem CID 19069208) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-naphthalen-1-yloxybenzaldehyde.

Molecular Properties

Compound Name4-naphthalen-1-yloxybenzaldehyde
PubChem CID19069208
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Name4-naphthalen-1-yloxybenzaldehyde
SMILESO=Cc1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C17H12O2/c18-12-13-8-10-15(11-9-13)19-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H
InChIKeyXJWPLZZRLKJFLX-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 54.44
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

4-(2-hydroxyphenoxy)benzaldehyde
CID 13266147
4-naphthalen-1-yloxybenzoyl fluoride
CID 54185707
2-naphthalen-2-yl-6-(4-naphthalen-1-yloxyphenyl)naphthalene
CID 71004721
4-(1-benzothiophen-3-yloxy)benzaldehyde
CID 11265291
2-(4-formylphenoxy)benzoic acid
CID 19374993
2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene
CID 58689928
4-naphthalen-1-yloxyphthalic acid
CID 174697498
N'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide
CID 43188222
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
5-chloro-2-naphthalen-1-yloxybenzaldehyde
CID 114844762
4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one
CID 91934024
N-ethyl-2,2,2-trifluoro-N-(4-naphthalen-1-yloxyphenyl)acetamide
CID 91679960

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yloxybenzaldehyde?
The IUPAC name of 4-naphthalen-1-yloxybenzaldehyde (CID 19069208) is 4-naphthalen-1-yloxybenzaldehyde.
What is the SMILES notation for 4-naphthalen-1-yloxybenzaldehyde?
The canonical SMILES for 4-naphthalen-1-yloxybenzaldehyde is O=Cc1ccc(Oc2cccc3ccccc23)cc1.
What is the InChIKey of 4-naphthalen-1-yloxybenzaldehyde?
The InChIKey is XJWPLZZRLKJFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2/c18-12-13-8-10-15(11-9-13)19-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H.
What are the key properties of 4-naphthalen-1-yloxybenzaldehyde?
4-naphthalen-1-yloxybenzaldehyde has a molecular weight of 248.28 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yloxybenzaldehyde is sourced from PubChem (CID 19069208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).