2-propoxynaphthalene-1-carbaldehyde

C14H14O2 — CID 2060568

IUPAC2-propoxynaphthalene-1-carbaldehyde
SMILESCCCOc1ccc2ccccc2c1C=O
InChIInChI=1S/C14H14O2/c1-2-9-16-14-8-7-11-5-3-4-6-12(11)13(14)10-15/h3-8,10H,2,9H2,1H3
InChIKeyVQEKSPXFVANRGG-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.44
Rot. Bonds4

About 2-propoxynaphthalene-1-carbaldehyde

2-propoxynaphthalene-1-carbaldehyde (PubChem CID 2060568) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-propoxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-propoxynaphthalene-1-carbaldehyde
PubChem CID2060568
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-propoxynaphthalene-1-carbaldehyde
SMILESCCCOc1ccc2ccccc2c1C=O
InChIInChI=1S/C14H14O2/c1-2-9-16-14-8-7-11-5-3-4-6-12(11)13(14)10-15/h3-8,10H,2,9H2,1H3
InChIKeyVQEKSPXFVANRGG-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.44
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-propoxynaphthalene-1-carbaldehyde?
The IUPAC name of 2-propoxynaphthalene-1-carbaldehyde (CID 2060568) is 2-propoxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-propoxynaphthalene-1-carbaldehyde?
The canonical SMILES for 2-propoxynaphthalene-1-carbaldehyde is CCCOc1ccc2ccccc2c1C=O.
What is the InChIKey of 2-propoxynaphthalene-1-carbaldehyde?
The InChIKey is VQEKSPXFVANRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-2-9-16-14-8-7-11-5-3-4-6-12(11)13(14)10-15/h3-8,10H,2,9H2,1H3.
What are the key properties of 2-propoxynaphthalene-1-carbaldehyde?
2-propoxynaphthalene-1-carbaldehyde has a molecular weight of 214.26 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 2060568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).