4-propylnaphthalene-2-carbaldehyde

C14H14O — CID 54544102

IUPAC4-propylnaphthalene-2-carbaldehyde
SMILESCCCc1cc(C=O)cc2ccccc12
InChIInChI=1S/C14H14O/c1-2-5-12-8-11(10-15)9-13-6-3-4-7-14(12)13/h3-4,6-10H,2,5H2,1H3
InChIKeyRINMSKUXGIZBHF-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.60
Rot. Bonds3

About 4-propylnaphthalene-2-carbaldehyde

4-propylnaphthalene-2-carbaldehyde (PubChem CID 54544102) has the molecular formula C14H14O and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-propylnaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name4-propylnaphthalene-2-carbaldehyde
PubChem CID54544102
Molecular FormulaC14H14O
Molecular Weight198.27 g/mol
Exact Mass198.10
IUPAC Name4-propylnaphthalene-2-carbaldehyde
SMILESCCCc1cc(C=O)cc2ccccc12
InChIInChI=1S/C14H14O/c1-2-5-12-8-11(10-15)9-13-6-3-4-7-14(12)13/h3-4,6-10H,2,5H2,1H3
InChIKeyRINMSKUXGIZBHF-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.60
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 4-propylnaphthalene-2-carbaldehyde?
The IUPAC name of 4-propylnaphthalene-2-carbaldehyde (CID 54544102) is 4-propylnaphthalene-2-carbaldehyde.
What is the SMILES notation for 4-propylnaphthalene-2-carbaldehyde?
The canonical SMILES for 4-propylnaphthalene-2-carbaldehyde is CCCc1cc(C=O)cc2ccccc12.
What is the InChIKey of 4-propylnaphthalene-2-carbaldehyde?
The InChIKey is RINMSKUXGIZBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-2-5-12-8-11(10-15)9-13-6-3-4-7-14(12)13/h3-4,6-10H,2,5H2,1H3.
What are the key properties of 4-propylnaphthalene-2-carbaldehyde?
4-propylnaphthalene-2-carbaldehyde has a molecular weight of 198.27 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylnaphthalene-2-carbaldehyde is sourced from PubChem (CID 54544102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).