4-(naphthalen-2-ylmethoxy)benzaldehyde

C18H14O2 — CID 672876

IUPAC4-(naphthalen-2-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H14O2/c19-12-14-6-9-18(10-7-14)20-13-15-5-8-16-3-1-2-4-17(16)11-15/h1-12H,13H2
InChIKeyQYZMPNYHVXWFTP-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.23
Rot. Bonds4

About 4-(naphthalen-2-ylmethoxy)benzaldehyde

4-(naphthalen-2-ylmethoxy)benzaldehyde (PubChem CID 672876) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(naphthalen-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name4-(naphthalen-2-ylmethoxy)benzaldehyde
PubChem CID672876
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name4-(naphthalen-2-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H14O2/c19-12-14-6-9-18(10-7-14)20-13-15-5-8-16-3-1-2-4-17(16)11-15/h1-12H,13H2
InChIKeyQYZMPNYHVXWFTP-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylmethoxy)benzaldehyde?
The IUPAC name of 4-(naphthalen-2-ylmethoxy)benzaldehyde (CID 672876) is 4-(naphthalen-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 4-(naphthalen-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 4-(naphthalen-2-ylmethoxy)benzaldehyde is O=Cc1ccc(OCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-(naphthalen-2-ylmethoxy)benzaldehyde?
The InChIKey is QYZMPNYHVXWFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c19-12-14-6-9-18(10-7-14)20-13-15-5-8-16-3-1-2-4-17(16)11-15/h1-12H,13H2.
What are the key properties of 4-(naphthalen-2-ylmethoxy)benzaldehyde?
4-(naphthalen-2-ylmethoxy)benzaldehyde has a molecular weight of 262.31 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 672876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).