naphthalene-1-carbaldehyde

C11H8O — CID 6195

IUPACnaphthalene-1-carbaldehyde
SMILESO=Cc1cccc2ccccc12
InChIInChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
InChIKeySQAINHDHICKHLX-UHFFFAOYSA-N
MW156.18 g/mol
LogP2.65
Rot. Bonds1

About naphthalene-1-carbaldehyde

naphthalene-1-carbaldehyde (PubChem CID 6195) has the molecular formula C11H8O and a molecular weight of 156.18 g/mol. Its IUPAC name is naphthalene-1-carbaldehyde.

Molecular Properties

Compound Namenaphthalene-1-carbaldehyde
PubChem CID6195
Molecular FormulaC11H8O
Molecular Weight156.18 g/mol
Exact Mass156.06
IUPAC Namenaphthalene-1-carbaldehyde
SMILESO=Cc1cccc2ccccc12
InChIInChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
InChIKeySQAINHDHICKHLX-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalene-1-carbaldehyde?
The IUPAC name of naphthalene-1-carbaldehyde (CID 6195) is naphthalene-1-carbaldehyde.
What is the SMILES notation for naphthalene-1-carbaldehyde?
The canonical SMILES for naphthalene-1-carbaldehyde is O=Cc1cccc2ccccc12.
What is the InChIKey of naphthalene-1-carbaldehyde?
The InChIKey is SQAINHDHICKHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H.
What are the key properties of naphthalene-1-carbaldehyde?
naphthalene-1-carbaldehyde has a molecular weight of 156.18 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1-carbaldehyde is sourced from PubChem (CID 6195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).