2-phenylmethoxynaphthalene-1-carbaldehyde

C18H14O2 — CID 735460

IUPAC2-phenylmethoxynaphthalene-1-carbaldehyde
SMILESO=Cc1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C18H14O2/c19-12-17-16-9-5-4-8-15(16)10-11-18(17)20-13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyVEMDBXGFPCYWJJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.23
Rot. Bonds4

About 2-phenylmethoxynaphthalene-1-carbaldehyde

2-phenylmethoxynaphthalene-1-carbaldehyde (PubChem CID 735460) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-phenylmethoxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-phenylmethoxynaphthalene-1-carbaldehyde
PubChem CID735460
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name2-phenylmethoxynaphthalene-1-carbaldehyde
SMILESO=Cc1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C18H14O2/c19-12-17-16-9-5-4-8-15(16)10-11-18(17)20-13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyVEMDBXGFPCYWJJ-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 2-phenylmethoxynaphthalene-1-carbaldehyde?
The IUPAC name of 2-phenylmethoxynaphthalene-1-carbaldehyde (CID 735460) is 2-phenylmethoxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-phenylmethoxynaphthalene-1-carbaldehyde?
The canonical SMILES for 2-phenylmethoxynaphthalene-1-carbaldehyde is O=Cc1c(OCc2ccccc2)ccc2ccccc12.
What is the InChIKey of 2-phenylmethoxynaphthalene-1-carbaldehyde?
The InChIKey is VEMDBXGFPCYWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c19-12-17-16-9-5-4-8-15(16)10-11-18(17)20-13-14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of 2-phenylmethoxynaphthalene-1-carbaldehyde?
2-phenylmethoxynaphthalene-1-carbaldehyde 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 2-phenylmethoxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 735460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).