1-phenyl-2H-naphthalene-1-carbaldehyde

C17H14O — CID 87494055

IUPAC1-phenyl-2H-naphthalene-1-carbaldehyde
SMILESO=CC1(c2ccccc2)CC=Cc2ccccc21
InChIInChI=1S/C17H14O/c18-13-17(15-9-2-1-3-10-15)12-6-8-14-7-4-5-11-16(14)17/h1-11,13H,12H2
InChIKeyFZNRGCNFFYTVGW-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.59
Rot. Bonds2

About 1-phenyl-2H-naphthalene-1-carbaldehyde

1-phenyl-2H-naphthalene-1-carbaldehyde (PubChem CID 87494055) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-phenyl-2H-naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name1-phenyl-2H-naphthalene-1-carbaldehyde
PubChem CID87494055
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name1-phenyl-2H-naphthalene-1-carbaldehyde
SMILESO=CC1(c2ccccc2)CC=Cc2ccccc21
InChIInChI=1S/C17H14O/c18-13-17(15-9-2-1-3-10-15)12-6-8-14-7-4-5-11-16(14)17/h1-11,13H,12H2
InChIKeyFZNRGCNFFYTVGW-UHFFFAOYSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.59
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 1-phenyl-2H-naphthalene-1-carbaldehyde?
The IUPAC name of 1-phenyl-2H-naphthalene-1-carbaldehyde (CID 87494055) is 1-phenyl-2H-naphthalene-1-carbaldehyde.
What is the SMILES notation for 1-phenyl-2H-naphthalene-1-carbaldehyde?
The canonical SMILES for 1-phenyl-2H-naphthalene-1-carbaldehyde is O=CC1(c2ccccc2)CC=Cc2ccccc21.
What is the InChIKey of 1-phenyl-2H-naphthalene-1-carbaldehyde?
The InChIKey is FZNRGCNFFYTVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c18-13-17(15-9-2-1-3-10-15)12-6-8-14-7-4-5-11-16(14)17/h1-11,13H,12H2.
What are the key properties of 1-phenyl-2H-naphthalene-1-carbaldehyde?
1-phenyl-2H-naphthalene-1-carbaldehyde has a molecular weight of 234.30 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2H-naphthalene-1-carbaldehyde is sourced from PubChem (CID 87494055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).