4-phenylnaphthalene-1-carbaldehyde

C17H12O — CID 15050889

IUPAC4-phenylnaphthalene-1-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C17H12O/c18-12-14-10-11-16(13-6-2-1-3-7-13)17-9-5-4-8-15(14)17/h1-12H
InChIKeyYNRYYBCXDSMIRQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP4.32
Rot. Bonds2

About 4-phenylnaphthalene-1-carbaldehyde

4-phenylnaphthalene-1-carbaldehyde (PubChem CID 15050889) has the molecular formula C17H12O and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-phenylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-phenylnaphthalene-1-carbaldehyde
PubChem CID15050889
Molecular FormulaC17H12O
Molecular Weight232.28 g/mol
Exact Mass232.09
IUPAC Name4-phenylnaphthalene-1-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C17H12O/c18-12-14-10-11-16(13-6-2-1-3-7-13)17-9-5-4-8-15(14)17/h1-12H
InChIKeyYNRYYBCXDSMIRQ-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-phenylnaphthalene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenylnaphthalene-1-carbaldehyde?
The IUPAC name of 4-phenylnaphthalene-1-carbaldehyde (CID 15050889) is 4-phenylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 4-phenylnaphthalene-1-carbaldehyde?
The canonical SMILES for 4-phenylnaphthalene-1-carbaldehyde is O=Cc1ccc(-c2ccccc2)c2ccccc12.
What is the InChIKey of 4-phenylnaphthalene-1-carbaldehyde?
The InChIKey is YNRYYBCXDSMIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O/c18-12-14-10-11-16(13-6-2-1-3-7-13)17-9-5-4-8-15(14)17/h1-12H.
What are the key properties of 4-phenylnaphthalene-1-carbaldehyde?
4-phenylnaphthalene-1-carbaldehyde has a molecular weight of 232.28 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 15050889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).