2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde

C16H18O2 — CID 86627230

IUPAC2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde
SMILESCCCOc1c(C)c(C)c(C=O)c2ccccc12
InChIInChI=1S/C16H18O2/c1-4-9-18-16-12(3)11(2)15(10-17)13-7-5-6-8-14(13)16/h5-8,10H,4,9H2,1-3H3
InChIKeyQGJZAOUDRYLXQV-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.06
Rot. Bonds4

About 2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde

2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde (PubChem CID 86627230) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde
PubChem CID86627230
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde
SMILESCCCOc1c(C)c(C)c(C=O)c2ccccc12
InChIInChI=1S/C16H18O2/c1-4-9-18-16-12(3)11(2)15(10-17)13-7-5-6-8-14(13)16/h5-8,10H,4,9H2,1-3H3
InChIKeyQGJZAOUDRYLXQV-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.06
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 2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde?
The IUPAC name of 2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde (CID 86627230) is 2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde?
The canonical SMILES for 2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde is CCCOc1c(C)c(C)c(C=O)c2ccccc12.
What is the InChIKey of 2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde?
The InChIKey is QGJZAOUDRYLXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-4-9-18-16-12(3)11(2)15(10-17)13-7-5-6-8-14(13)16/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde?
2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde has a molecular weight of 242.32 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 86627230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).